BDBM227590 PA1

SMILES c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br

InChI Key InChIKey=OTKZPCDLOLLPPV-UHFFFAOYSA-N

Data  2 IC50  4 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 227590   

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

LigandPNGBDBM227590(PA1)
Affinity DataIC50: 6.78E+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

LigandPNGBDBM227590(PA1)
Affinity DataIC50: 1.86E+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

LigandPNGBDBM227590(PA1)
Affinity DataKd:  3.57E+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

LigandPNGBDBM227590(PA1)
Affinity DataKd:  6nMpH: 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
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM227590(PA1)
Affinity DataKd:  25nMAssay Description:Displacement of FITC-GDA from Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2020
Entry Details Article
PubMed
TargetEndoplasmin(Dog)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM227590(PA1)
Affinity DataKd:  20nMAssay Description:Displacement of FITC-GDA from recombinant canine Grp94 expressed in baculovirus infected Sf21 insect cells after 24 hrs by fluorescence polarization ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2020
Entry Details Article
PubMed