BDBM227591 PA7

SMILES c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O

InChI Key InChIKey=FYANAIGOGAIFAF-UHFFFAOYSA-N

Data  3 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 227591   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Human)
University of Texas Southwestern Medical Center

LigandPNGBDBM227591(PA7)
Affinity DataIC50: 5.68E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Human)
University of Texas Southwestern Medical Center

LigandPNGBDBM227591(PA7)
Affinity DataIC50: 1.05E+3nMpH: 7.5 T: 2°CAssay Description:To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2017
Entry Details Article
PubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Human)
University of Texas Southwestern Medical Center

LigandPNGBDBM227591(PA7)
Affinity DataKd:  1.83E+3nMpH: 7.5 T: 2°CAssay Description:The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha [1-236](Human)
University of Texas Southwestern Medical Center

LigandPNGBDBM227591(PA7)
Affinity DataKd:  27.3nMpH: 7.5 T: 2°CAssay Description:The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM227591(PA7)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of Hsp90 in human H1299 cells after 24 hrs by Akt luminex assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)