BDBM50326738 (3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-((Z)-2-methylbut-2-enoyloxy)-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6,7-diyl dioctanoate::CHEMBL1253558

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

InChI Key InChIKey=WUQLQXXDPCOWPP-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 = 50326738   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326738BDBM50326738((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...)
Affinity DataKd:  2.5nMAssay Description:Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Rabbit)
University of Copenhagen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50326738BDBM50326738((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...)
Affinity DataIC50: 16nMAssay 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