BDBM50236518 CHEMBL3732469

SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O

InChI Key InChIKey=XFKGXBZSDIBBEB-UHFFFAOYSA-N

Data  2 KI  5 IC50  2 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 9 hits for monomerid = 50236518   

LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataKi:  67nMAssay 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
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataKi:  6.55E+3nMAssay Description:Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataIC50:  72nMAssay Description:Inhibition of human recombinant PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataIC50:  1.72E+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
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataIC50:  35nMAssay Description:Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataIC50:  350nMAssay Description:Inhibition of human recombinant PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataKd:  16nMAssay Description:Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataKd:  60nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236518(CHEMBL3732469)
Affinity DataIC50:  72nMAssay Description:Inhibition of [3H]citalopram binding to serotonin transporter (SERT) of cynomolgus monkey caudate-putamenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed