BDBM50657885 CHEMBL6161147

SMILES O=C(O)CN1C(=O)S/C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O

InChI Key InChIKey=PEFMHTDZHDFYPM-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50657885   

TargetAldo-keto reductase family 1 member B1(Rat)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657885BDBM50657885(CHEMBL6161147)
Affinity DataIC50: 26nMAssay Description:Inhibition of male Wistar rat lens ALR2 using D,L-glyceraldehyde as substrate assessed as NADPH consumption by spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAldo-keto reductase family 1 member A1(Rat)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657885BDBM50657885(CHEMBL6161147)
Affinity DataIC50: 7.54E+3nMAssay Description:Inhibition of male Wistar rat kidney ALR1 using D-glucuronate as substrate assessed as NADPH consumption by spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657885BDBM50657885(CHEMBL6161147)
Affinity DataIC50: 4.28E+4nMAssay Description:Inhibition of polyhis-tagged recombinant human PTP1B (1 to 303 residues) extracted from Escherichia coli BL21 (DE3) pLysS using p-nitro-phenyl phosph...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
Aristotle University of Thessaloniki

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657885BDBM50657885(CHEMBL6161147)
Affinity DataIC50: 4.71E+4nMAssay Description:Inhibition of polyHis-tagged recombinant human TCPTP (1 to 415 residues) extracted from Escherichia coli BL21 (DE3) pLysS using p-nitro-phenyl phosph...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed