BDBM50462013 CHEBI:8241::Piplartine

SMILES COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC

InChI Key InChIKey=VABYUUZNAVQNPG-BQYQJAHWSA-N

Data  4 IC50

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 4 hits for monomerid = 50462013   

TargetSignal transducer and activator of transcription 3(Homo sapiens (Human))
Chungnam National University

Curated by ChEMBL
LigandPNGBDBM50462013(CHEBI:8241 | Piplartine)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of STAT3 phosphorylation at Tyr705 residues in human DU145 cells after 24 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))TBA
LigandPNGBDBM50462013(CHEBI:8241 | Piplartine)
Affinity DataIC50:  1.60E+5nMAssay Description:Inhibition of human recombinant ALR2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThioredoxin reductase 1, cytoplasmic(Homo sapiens (Human))
Nantong University

Curated by ChEMBL
LigandPNGBDBM50462013(CHEBI:8241 | Piplartine)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of TrxR in human BEL-7402/5-FU cells by colorimetric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThioredoxin reductase 1, cytoplasmic(Homo sapiens (Human))
Nantong University

Curated by ChEMBL
LigandPNGBDBM50462013(CHEBI:8241 | Piplartine)
Affinity DataIC50:  4.59E+4nMAssay Description:Inhibition of TrxR in human SH-SY5Y cells using DTNB as substrate preincubated for 15 mins followed by substrate addition and measured for 20 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed