BDBM50570508 CHEMBL4861113::US11753371, Compound II-2i

SMILES CCN(Cc1ccc(F)cc1)C(=S)SSC(=S)N(CC)Cc1ccc(F)cc1

InChI Key InChIKey=DNLJWNUCDQQRTQ-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50570508   

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

Curated by ChEMBL
LigandPNGBDBM50570508(CHEMBL4861113 | US11753371, Compound II-2i)
Affinity DataIC50:  170nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMonoglyceride lipase(Homo sapiens (Human))
Batterjee Medical College

US Patent
LigandPNGBDBM50570508(CHEMBL4861113 | US11753371, Compound II-2i)
Affinity DataIC50:  3.58E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50570508(CHEMBL4861113 | US11753371, Compound II-2i)
Affinity DataIC50:  170nMAssay 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