BDBM50290267 (5R,9S,13S,14R)-5,9,13-trimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid::CHEMBL312246::CHEMBL3215326

SMILES C[C@]12C[C@@]3(C[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CCC1[C@@](C)(CCC[C@@]1(C)C(O)=O)C3CC2

InChI Key InChIKey=KFAGDIJESKSELW-UHFFFAOYSA-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 = 50290267   

TargetP-selectin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50290267((5R,9S,13S,14R)-5,9,13-trimethyl-14-{[3,4,5-trihyd...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibitory activity against P-selectin was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article