BDBM50076551 CHEMBL3416555

SMILES CC(C)CCn1c(CN2CCC(C)CC2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=KZLLABWWTTXZLK-UHFFFAOYSA-N

Data  4 IC50

  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 = 50076551   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076551(CHEMBL3416555)
Affinity DataIC50:  920nMAssay 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 DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase X, mitochondrial(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076551(CHEMBL3416555)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH1B1 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 DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076551(CHEMBL3416555)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH2 using propionaldehyde as substrate preincubated for 2 mins with NAD+ followed by substrate addition by UV-Vis s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))
Indiana University

Curated by ChEMBL
LigandPNGBDBM50076551(CHEMBL3416555)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant human ALDH1A3 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 DepthDetails ArticlePubMed