BDBM50626710 CHEMBL5393832

SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCCc3ccccc3)cc2)C1=O

InChI Key InChIKey=YCFAIBYAFJGQEG-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 2 hits for monomerid = 50626710   

TargetAldo-keto reductase family 1 member B1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626710(CHEMBL5393832)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3)pLysS using L-idose as substrate by NADPH oxidation based absorbance an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50626710(CHEMBL5393832)
Affinity DataIC50: 1.27E+4nMAssay Description:Inhibition of human recombinant PTP1B using pNPP as substrate by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed