BDBM50269014 CHEMBL496999::frangulin B

SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O[C@@H]4OC[C@](O)(CO)[C@H]4O)cc3C(=O)c2c1

InChI Key InChIKey=AEQMIFRODRFTJF-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50269014   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50269014BDBM50269014(frangulin B | CHEMBL496999)
Affinity DataIC50: 5.45E+3nMAssay Description:Inhibition of human recombinant AKR1B1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details
PubMed
TargetP2Y purinoceptor 12(Human)
University of Bonn

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50269014BDBM50269014(frangulin B | CHEMBL496999)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/22/2012
Entry Details Article
PubMed