BDBM50076742 CHEBI:86194::CHEMBL3416563

SMILES CCN(CC)c1ccc(cc1)C=O

InChI Key InChIKey=MNFZZNNFORDXSV-UHFFFAOYSA-N

Data  9 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50076742   

TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 57nMAssay Description:Inhibition of recombinant human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2016
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 520nMAssay Description:Inhibition of human ALDH1A1 G458N mutant using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/25/2016
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of ALDH1A1 in human MIAPaCa2 cells assessed as reduction in aldefluor positive cells up to 30 uM incubated for 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of ALDH (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 57nMAssay Description:Inhibition of human ALDH1A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of ALDH1A1 in human HT-29 cells assessed as reduction in aldefluor positive cells up to 30 uM incubated for 30 mins by aldefluor assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 480nMAssay Description:Inhibition of N-terminal-His6 tagged recombinant human ALDH1A1 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluori...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Bradford

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of N-terminal-His6 tagged recombinant human ALDH1A3 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluori...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Human)
University of Bradford

Curated by ChEMBL
LigandPNGBDBM50076742(CHEBI:86194 | CHEMBL3416563)
Affinity DataIC50: 5.67E+3nMAssay Description:Inhibition of N-terminal-His6 tagged recombinant human ALDH3A1 assessed as reduction in NADPH production using 4-NBA and NADP+ as substrate by fluori...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed