BDBM50236528 CHEMBL4072775

SMILES CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O

InChI Key InChIKey=YRTAPVLIGYRBPY-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50236528   

LigandPNGBDBM50236528(CHEMBL4072775)
Affinity DataIC50: 4.46E+3nMAssay Description:Inhibition of fluorescein-labelled VER160364 binding to PDHK2 (unknown origin) after 90 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50236528(CHEMBL4072775)
Affinity DataKi:  2.17E+3nMAssay Description:Inhibition of fluorescein-labelled VER160364 binding to PDHK2 (unknown origin) after 90 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)