BDBM50236530 CHEMBL3727577

SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O

InChI Key InChIKey=LCGNLQSOSJFLKR-UHFFFAOYSA-N

Data  2 KI  19 IC50  1 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50236530   

LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 65nMAssay Description:Inhibition of PDHK2 (unknown origin) by radiometric biochemical kinase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataEC50:  62nMAssay Description:Inhibition of PDK1 (unknown origin) incubated for 30 mins in presence of ATP by kinase glo luminescent kinase assayMore data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 35nMAssay 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
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 150nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 150nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 100nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 90nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 80nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 80nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 90nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 100nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 26nMAssay Description:Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HSP90 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 42nMAssay Description:Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 21nMAssay Description:Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 91nMAssay Description:Inhibition of PDHK4 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 84nMAssay Description:Inhibition of PDHK2 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataKd:  150nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 40nMAssay Description:Inhibition of PDHK3 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 573nMAssay 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
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataIC50: 35nMAssay Description:Inhibition of PDHK1 (unknown origin) assessed as decrease in phosphorylation of E1alpha subunit at serine 293 residue after 1 hr by DELFIAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataKi:  28nMAssay 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
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50236530(CHEMBL3727577)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of fluorescein-labelled VER160364 from HSP90A (unknown origin) after 90 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed