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 [#6]-[#6](=O)-[#8]-[#6][C@]12[#6]-[#6@@H]-3-[#8]-[#6](=O)-[#6@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]-3[C@]1([#6])[#6@@H](-[#8])-[#6]-[#6@H]1-[#6]2=[#6]-[#6]-[#6@@H]2[C@]1([#6])[#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]2([#6])[#6](=O)-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

InChI Key InChIKey=CNBPSPDNZJNBAZ-RWOCPONYSA-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(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50269529((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 DepthDetails ArticlePubMed