BDBM50165367 CHEMBL362947::Octanoic acid (2S,3aR,4S,6S,6aR,7S,9bS)-6-acetoxy-4-[3-(3-amino-4-methyl-phenylcarbamoyl)-propionyloxy]-3,3a-dihydroxy-3,6,9-trimethyl-2,8-dioxo-2,3,3a,4,5,6,6a,7,8,9b-decahydro-azuleno[4,5-b]furan-7-yl ester

SMILES CCCCCCCC(=O)O[C@H]1[C@H]2C([C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@]2(C)OC(C)=O)OC(=O)CCC(=O)Nc2ccc(C)c(N)c2)=C(C)C1=O

InChI Key InChIKey=AGWJWNMVPPVBRM-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 = 50165367   

TargetSarcoplasmic/endoplasmic reticulum calcium ATPase 1(Human)
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50165367(Octanoic acid (2S,3aR,4S,6S,6aR,7S,9bS)-6-acetoxy-...)
Affinity DataIC50: 9.04E+3nMAssay Description:Inhibitory activity against sarco- endoplasmic reticulum calcium-ATPaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed