Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with Target = '[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial' and Ligand = 'BDBM50236518'
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataKi:  67nMAssay Description:Inhibition of fluorescein-labelled VER160364 binding to PDHK1 (unknown origin) after 90 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataIC50: 72nMAssay Description:Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2DGGPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataIC50: 72nMAssay Description:Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamenMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataIC50: 1.72E+3nMAssay Description:Inhibition of PDHK1 in human PC3 cells assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataKd:  16nMAssay Description:Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataKd:  60nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed