BDBM50236512 CHEMBL3716663

SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc2ccccc2cc1C

InChI Key InChIKey=ZPNZQVNPYMEKML-KRWDZBQOSA-N

Data  2 KI  2 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50236512   

LigandPNGBDBM50236512(CHEMBL3716663)
Affinity DataKi:  124nMAssay 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
LigandPNGBDBM50236512(CHEMBL3716663)
Affinity DataKi:  1.06E+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 DepthDetails ArticlePubMed
LigandPNGBDBM50236512(CHEMBL3716663)
Affinity DataIC50:  139nMAssay 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
LigandPNGBDBM50236512(CHEMBL3716663)
Affinity DataIC50:  2.68E+3nMAssay 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 DepthDetails ArticlePubMed
LigandPNGBDBM50236512(CHEMBL3716663)
Affinity DataKd:  153nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236512(CHEMBL3716663)
Affinity DataKd:  153nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed