BDBM50311128 (1R)-((4E,6E,8E,10R,11R,12E,14E,18S,19S)-11-((2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-18-hydroxy-19-methoxy-4,6,8,10,14-pentamethyl-3-oxocycloicosa-4,6,8,12,14-pentaenyl)((2R,3R,4S,5R)-2,4-dihydroxy-6-((R)-2-((2R,4S,5S,6S)-4-hydroxy-5-((2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yloxy)-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-3-methoxypropyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)methyl acetate::CHEMBL1077490

SMILES COC[C@@H](CC1O[C@@](O)([C@H](OC(C)=O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1

InChI Key InChIKey=FBDYSLYBEQJIJR-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50311128   

TargetATP synthase subunit beta, mitochondrial(Baker's yeast)
Yale University

Curated by ChEMBL
LigandPNGBDBM50311128((1R)-((4E,6E,8E,10R,11R,12E,14E,18S,19S)-11-((2R,3...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of yeast mitochondrial F0F1-ATPaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed