BDBM50572089 CHEMBL4871242

SMILES Cc1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1

InChI Key InChIKey=UUGHMMOWDDXPKH-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50572089   

TargetAldehyde dehydrogenase 1A1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50572089(CHEMBL4871242)
Affinity DataIC50: 243nMAssay Description:Inhibition of human ALDH1A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetRetinal dehydrogenase 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50572089(CHEMBL4871242)
Affinity DataIC50: 1.58E+3nMAssay Description:Inhibition of human ALDH1A2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase family 1 member A3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50572089(CHEMBL4871242)
Affinity DataIC50: 2.12E+3nMAssay Description:Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50572089(CHEMBL4871242)
Affinity DataIC50: 790nMAssay Description:Inhibition of human ALDH2 assessed as NADH formation using propionaldehyde as substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50572089(CHEMBL4871242)
Affinity DataIC50: 3.17E+3nMAssay Description:Inhibition of human ALDH3A1 assessed as NADH formation using propionaldehyde as substrate by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed