BDBM50076555 CHEMBL3416557

SMILES Cc1cccc(Cn2c(CN3CCN(CC3)C(=O)c3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c1

InChI Key InChIKey=XMGRWSMIJNTZPQ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50076555   

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

Curated by ChEMBL
LigandPNGBDBM50076555(CHEMBL3416557)
Affinity DataIC50:  240nMAssay 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