BDBM50269528 (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)-10-hydroxy-2-(hydroxymethyl)-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::CHEMBL506715

SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2C[C@H](O)[C@@]2(C)[C@H]4[C@H](C[C@]32CO)OC(=O)[C@@H]4CC(=O)C=C(C)C)[C@]1(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=PEECPHVHYHOUNG-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 = 50269528   

TargetProthrombin(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50269528BDBM50269528((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)
Affinity DataIC50: 130nMAssay 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