BDBM50570514 CHEMBL333177::NSC-67746::US11753371, Compound II-2c::US20250145565, Compound II-2c

SMILES CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC

InChI Key InChIKey=PGAXJQVAHDTGBB-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50570514   

TargetAldehyde dehydrogenase 1A1(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50570514(CHEMBL333177 | NSC-67746 | US11753371, Compound II...)
Affinity DataIC50: 5.61E+3nMAssay 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)
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50570514(CHEMBL333177 | NSC-67746 | US11753371, Compound II...)
Affinity DataIC50: 7.26E+4nMAssay Description:Inhibition of ALDH2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetMonoglyceride lipase(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570514(CHEMBL333177 | NSC-67746 | US11753371, Compound II...)
Affinity DataIC50: 7.14E+3nMAssay 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:
10/20/2023
Entry Details
Go to US Patent

TargetAldehyde dehydrogenase 1A1(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50570514(CHEMBL333177 | NSC-67746 | US11753371, Compound II...)
Affinity DataIC50: 5.61E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
Go to US Patent

TargetAldehyde dehydrogenase, mitochondrial(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50570514(CHEMBL333177 | NSC-67746 | US11753371, Compound II...)
Affinity DataIC50: 7.26E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
Go to US Patent

TargetMonoglyceride lipase(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50570514(CHEMBL333177 | NSC-67746 | US11753371, Compound II...)
Affinity DataIC50: 7.14E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/9/2025
Entry Details
Go to US Patent