BDBM50570515 CHEMBL4871643::US11753371, Compound I-2j

SMILES CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C

InChI Key InChIKey=QOTYLQBPNZRMNL-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50570515   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j)
Affinity DataIC50: >1.00E+5nMAssay Description:5 μl of enzyme (150 nM for ALDH1a1 and 200 nM for ALDH2 in reaction buffer) were delivered to assay wells in coming black, 384 well plate. 5 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed