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
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 5 hits for monomerid = 50570515   

TargetAldehyde dehydrogenase 1A1(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j | US2025...)
Affinity DataIC50: 2.85E+3nMAssay Description:ALDH Assay Protocols: 5 μl of enzyme (150 nM for ALDH1a1 and 200 nM for ALDH2 in reaction buffer) were delivered to assay wells in corning black, 384...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
US Patent

TargetMonoglyceride lipase(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j | US2025...)
Affinity DataIC50: 1.34E+4nMAssay Description:The compounds II-2a to II-2m and controls in Table II were tested in 10-dose IC50 mode, with 3-fold serial dilution at a starting concentration of 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
US Patent

TargetAldehyde dehydrogenase 1A1(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j | US2025...)
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
In Depth
Date in BDB:
10/20/2023
Entry Details
US Patent

TargetAldehyde dehydrogenase 1A1(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j | US2025...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase, mitochondrial(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570515(CHEMBL4871643 | US11753371, Compound I-2j | US2025...)
Affinity DataIC50: 1.00E+5nMAssay Description:ALDH Assay Protocols: 5 μl of enzyme (150 nM for ALDH1a1 and 200 nM for ALDH2 in reaction buffer) were delivered to assay wells in corning black, 384...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
US Patent