BDBM50326745 CHEMBL1253588::Octanoic acid(2aS,5aS,7S,7aR,8S,9S,10bS,10cR)-7-butyryloxy-10c-hydroxy-2a,4,4,7,10-pentamethyl-9-((Z)-2-methyl-but-2-enoyloxy)-2-oxo-2,2a,5 a,6,7,7a,8,9,10b,10c-decahydro-1,3,5-trioxa-benzo[cd]cyclopenta[h]azulen-8-yl-ester

SMILES C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(=O)CCC)C[C@@H]1OC(C)(C)O[C@]3(C)C(=O)O[C@@H]2[C@]13O

InChI Key InChIKey=CXZIEDGFHZJIDO-UHFFFAOYSA-N

Data  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 1 hit for monomerid = 50326745   

TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rabbit)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326745BDBM50326745(Octanoic acid(2aS,5aS,7S,7aR,8S,9S,10bS,10cR)-7-bu...)
Affinity DataIC50: 19nMAssay Description:Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed