BDBM50016231 CHEMBL3262477

SMILES COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O

InChI Key InChIKey=HKBMXHMSCHIABN-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50016231   

TargetAldo-keto reductase family 1 member B1 [K65Q](Bovine)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50016231(CHEMBL3262477)
Affinity DataIC50: 130nMAssay Description:Inhibition of bovine aldose reductase assessed as oxidation of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50016231(CHEMBL3262477)
Affinity DataIC50: 6.79E+5nMAssay Description:Inhibition of human full-length GST-fused PTP1B expressed in bacterial expression system using pNPP as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50016231(CHEMBL3262477)
Affinity DataIC50: 139nMAssay Description:Inhibition of human recombinant aldose reductase expressed in Escherichia coli BL21 (DE3) pLysS assessed as reduction in NADPH oxidation using L-idos...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed