BDBM50555842 CHEMBL4760573::US11753371, Compound II-2b

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

InChI Key InChIKey=ZUYREEAWHZRZDX-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50555842   

TargetFructose-1,6-bisphosphatase 1(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50555842(CHEMBL4760573 | US11753371, Compound II-2b)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50555842(CHEMBL4760573 | US11753371, Compound II-2b)
Affinity DataIC50: 2.85E+3nMAssay 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
Go to US Patent

TargetAldehyde dehydrogenase, mitochondrial(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50555842(CHEMBL4760573 | US11753371, Compound II-2b)
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
Go to US Patent

TargetMonoglyceride lipase(Human)
Batterjee Medical College

US Patent
LigandPNGBDBM50555842(CHEMBL4760573 | US11753371, Compound II-2b)
Affinity DataIC50: 1.89E+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