BDBM50236516 CHEMBL3731789

SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O

InChI Key InChIKey=ZFKNKAYLMPNXQG-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 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 5 hits for monomerid = 50236516   

LigandPNGBDBM50236516(CHEMBL3731789)
Affinity DataKi:  26nMAssay 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 ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50236516(CHEMBL3731789)
Affinity DataKi:  1.02E+3nMAssay 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 ArticlePubMed
LigandPNGBDBM50236516(CHEMBL3731789)
Affinity DataIC50:  63nMAssay 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 ArticlePubMed
LigandPNGBDBM50236516(CHEMBL3731789)
Affinity DataKd:  1nMAssay Description:Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236516(CHEMBL3731789)
Affinity DataIC50:  5.65E+3nMAssay Description:Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone displacement.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed