BDBM50527793 CHEMBL4564832

SMILES COC(=O)c1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1

InChI Key InChIKey=DOWBWDFYBJXHFI-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50527793   

TargetAldehyde dehydrogenase 1A1(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527793(CHEMBL4564832)
Affinity DataIC50: 9.69E+4nMAssay Description:Inhibition of recombinant human 6His-tagged ALDH1A1 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50527793(CHEMBL4564832)
Affinity DataIC50: 2.74E+4nMAssay Description:Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed