BDBM50236517 CHEMBL3732579

SMILES COc1ccc(CN(C)C(=O)c2ccc(cc2)N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1

InChI Key InChIKey=KWRKREIMUZALFH-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 Kd

  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 5 hits for monomerid = 50236517   

LigandPNGBDBM50236517(CHEMBL3732579)
Affinity DataKd:  10nMAssay Description:Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
LigandPNGBDBM50236517(CHEMBL3732579)
Affinity DataIC50: 1.06E+4nMAssay 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 Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
LigandPNGBDBM50236517(CHEMBL3732579)
Affinity DataIC50: 201nMAssay 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 Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
LigandPNGBDBM50236517(CHEMBL3732579)
Affinity DataKi:  241nMAssay 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 Depth
Date in BDB:
7/21/2019
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50236517(CHEMBL3732579)
Affinity DataKi: >5.00E+4nMAssay Description:Displacement of fluorescein-labelled VER160364 from HSP90A (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
PubMed