BDBM50236519 CHEMBL3727843

SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O

InChI Key InChIKey=WJKWCGYIPOTSBR-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50236519   

LigandPNGBDBM50236519(CHEMBL3727843)
Affinity DataKi:  37nMAssay Description:Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL
LigandPNGBDBM50236519(CHEMBL3727843)
Affinity DataKi:  3.21E+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
LigandPNGBDBM50236519(CHEMBL3727843)
Affinity DataIC50:  101nMAssay 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
LigandPNGBDBM50236519(CHEMBL3727843)
Affinity DataKd:  78nMAssay Description:Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50236519(CHEMBL3727843)
Affinity DataIC50:  2.15E+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