BDBM50326744 CHEMBL1253587::Octanoic acid(2aS,5aS,7S,7aR,8S,9S,10bS,10cR)-7,10c-bis-butyryloxy-2a,4,4,7,10-pentamethyl-9-((Z)-2-methyl-but-2-enoyloxy)-2-oxo-2,2a,5a,6,7,7a,8,9,10b,10c-decahydro-1,3,5-trioxa-benzo[cd]cyclopenta[h]azulen-8-yl-ester

SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)OC(C)(C)O[C@@H](C[C@](C)(OC(=O)CCC)[C@@H]12)[C@@]34OC(=O)CCC

InChI Key InChIKey=SLNAHPFKHPPWGH-RAFIBHRSSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326744   

TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Oryctolagus cuniculus)
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50326744(CHEMBL1253587 | Octanoic acid(2aS,5aS,7S,7aR,8S,9S...)
Affinity DataIC50: >70nMAssay Description:Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed