BDBM50529878 CHEMBL4476534

SMILES Cc1cccc(NC(=O)CSc2n[nH]c(n2)-c2ccccc2O)c1C

InChI Key InChIKey=WHBHHAKSCKVYCJ-UHFFFAOYSA-N

Data  10 IC50  2 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50529878   

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

Curated by ChEMBL

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 3.80E+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 InfoPurchasePC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
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Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 290nMAssay 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 InfoPurchasePC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
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Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataKd:  870nMAssay 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 InfoPurchasePC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
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Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 5.70E+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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataKd:  870nMAssay 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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 5.70E+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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 780nMAssay 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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 290nMAssay 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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 780nMAssay 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 InfoPurchasePC 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

LigandBDBM50529878(CHEMBL4476534)Copy SMILESCopy InChI

Affinity DataIC50: 3.80E+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 InfoPurchasePC cidPC sidSimilars

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