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SMILES COc1cc(C=O)ccc1N1CCCC1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50585948   

TargetAldehyde dehydrogenase family 1 member A3(Homo sapiens (Human))TBA
LigandPNGBDBM50585948(CHEMBL5083538)copy SMILES
Affinity DataIC50: 4.86E+3nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z19FTPubMed
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))TBA
LigandPNGBDBM50585948(CHEMBL5083538)copy SMILES
Affinity DataIC50: 880nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z19FTPubMed