BDBM50657888 CHEMBL6152690

SMILES O=C(O)CN1C(=O)S/C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O

InChI Key InChIKey=QDAIZYBMTXCMDS-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 = 50657888   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50657888BDBM50657888(CHEMBL6152690)
Affinity DataIC50: 289nMAssay 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 50657888BDBM50657888(CHEMBL6152690)
Affinity DataIC50: 1.50E+4nMAssay 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 50657888BDBM50657888(CHEMBL6152690)
Affinity DataIC50: 2.13E+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 50657888BDBM50657888(CHEMBL6152690)
Affinity DataIC50: 3.78E+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