BDBM50269529 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-1(20)-ene-17-carboxylate::CHEMBL449122

SMILES CC(=O)OC[C@]12C[C@@H]3OC(=O)[C@H](CC(=O)C=C(C)C)[C@H]3[C@]1(C)[C@@H](O)C[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=CNBPSPDNZJNBAZ-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 = 50269529   

TargetProthrombin(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50269529BDBM50269529((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Affinity DataIC50: 70nMAssay Description:Inhibition of human thrombin by fibrinogen-clot assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed