BDBM50236319 CHEMBL4101407

SMILES CC1(C)N=C(N)N=C(N)N1OCCCCOc1cccc(C=CC(=O)c2ccccc2)c1

InChI Key InChIKey=LXRUVFRHBVSUQG-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50236319   

TargetDihydrofolate reductase(Human)
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50236319(CHEMBL4101407)
Affinity DataIC50: 4.80nMAssay 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
LigandPNGBDBM50236319(CHEMBL4101407)
Affinity DataIC50: 3.80E+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
LigandPNGBDBM50236319(CHEMBL4101407)
Affinity DataIC50: 6.00E+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