BDBM50448792 CHEMBL3128212

SMILES Brc1ccc2N(CN3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)C(=O)c2c1

InChI Key InChIKey=JUFWGKXXYTUEDA-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 = 50448792   

TargetAldehyde dehydrogenase, dimeric NADP-preferring(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50448792(CHEMBL3128212)
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetAldehyde dehydrogenase, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50448792(CHEMBL3128212)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50448792(CHEMBL3128212)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed