BDBM50116000 (S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::(S)-3-{(R)-13-Hydroxy-13-[(2R,5R,1'R,3'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::(S)-3-{(R)-13-Hydroxy-13-[(2R,5R,2'R,5'R)-5'-((R)-1-hydroxy-undecyl)-octahydro-[2,2']bifuranyl-5-yl]-tridecyl}-5-methyl-5H-furan-2-one::CHEMBL62800

SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O

InChI Key InChIKey=URLVCROWVOSNPT-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50116000   

LigandPNGBDBM50116000((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...)
Affinity DataIC50: 0.900nMAssay Description:Inhibitory activity against bovine heart mitochondrial NADH ubiquinone oxidoreductase (complex I)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50116000((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of complex I activity was determined by NADH oxidase assay using bovine heart submitochondrial particles.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2012
Entry Details Article
PubMed
LigandPNGBDBM50116000((S)-3-{(12R,13R)-13-Hydroxy-13-[(4R,2'R,5'R)-5'-((...)
Affinity DataIC50: 0.75nMAssay Description:Inhibitory concentration needed to halve the control NADH oxidase activity in bovine heart submitochondrial particles (SMP)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed