BDBM50585956 CHEMBL5082977

SMILES CCCN(CCC)c1ccc(C=O)cc1[N+]([O-])=O

InChI Key InChIKey=KXSYGLGCBFMYGY-UHFFFAOYSA-N

Data  1 KI  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 3 hits for monomerid = 50585956   

TargetAldehyde dehydrogenase family 1 member A3(Human)
University of Bradford

Curated by ChEMBL
LigandPNGBDBM50585956(CHEMBL5082977)
Affinity DataIC50: 1.06E+5nMAssay 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
LigandPNGBDBM50585956(CHEMBL5082977)
Affinity DataIC50: 1.61E+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
TargetAldehyde dehydrogenase, dimeric NADP-preferring(Human)
University of Bradford

Curated by ChEMBL
LigandPNGBDBM50585956(CHEMBL5082977)
Affinity DataKi:  300nMAssay Description:Competitive inhibition of N-terminal-His6 tagged recombinant human ALDH3A1 using 4-NBA and NADP+ as substrate by Michaelis-Menten based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed