BDBM50448804 CHEMBL3128205

SMILES c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O

InChI Key InChIKey=XICVNIWRISOITG-UHFFFAOYSA-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 = 50448804   

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

Curated by ChEMBL
LigandPNGBDBM50448804(CHEMBL3128205)
Affinity DataIC50: 450nMAssay 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
LigandPNGBDBM50448804(CHEMBL3128205)
Affinity DataIC50: 3.50E+3nMAssay 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
LigandPNGBDBM50448804(CHEMBL3128205)
Affinity DataIC50: 70nMAssay 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
TargetParkinson disease protein 7(Human)
Tri-Institutional Phd Program In Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50448804(CHEMBL3128205)
Affinity DataIC50: 701nMAssay Description:Inhibition of pET3a-His-tagged DJ1 (unknown origin) expressed in Escherichia coli BL21 assessed as decrease in esterase activity using DiFMUAc as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)