BDBM50236320 CHEMBL4091106

SMILES NC1=NC2(CCCC2)N(OCCCCOc2cccc(c2)C(=O)C=Cc2ccccc2)C(N)=N1

InChI Key InChIKey=XGIGOJCKDMJDKY-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50236320   

TargetDihydrofolate reductase(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50236320(CHEMBL4091106)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of recombinant human DHFR assessed as reduction in conversion of DHF to THF measured every 30 secs for 6 mins by UV-Vis spectrophotometric...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2019
Entry Details Article
PubMed
TargetThioredoxin reductase 1, cytoplasmic(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50236320(CHEMBL4091106)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of recombinant rat liver thioredoxin reductase after 60 mins by DTNB reduction assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2019
Entry Details Article
PubMed
TargetThioredoxin reductase 1, cytoplasmic(Rat)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50236320(CHEMBL4091106)
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of recombinant rat liver thioredoxin reductase after 30 mins by DTNB reduction assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2019
Entry Details Article
PubMed