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SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O

InChI Key InChIKey=XFKGXBZSDIBBEB-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50236518   

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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataKi:  6.55E+3nMAssay Description:Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, 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: 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
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay Description:Inhibition of human recombinant PDHK2 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
LigandPNGBDBM50236518(CHEMBL3732469)copy SMILEScopy InChI
Affinity DataIC50: 350nMAssay Description:Inhibition of human recombinant PDHK4 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 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
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