BDBM50269525 (2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tetramethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-5,17-dioxahexacyclo[10.10.0.0^{2,9}.0^{4,8}.0^{13,20}.0^{16,19}]docos-1(22)-ene-6,18-dione::CHEMBL457155

SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@H]5[C@@]6([#6])[#6@@H](-[#6]-[#6][C@]5([#6])[#6@H]-4-[#6]-[#6][C@@]23[#6])-[#8]-[#6]6=O)-[#8]-[#6]-1=O

InChI Key InChIKey=NGRWSGCZGGUEEZ-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 = 50269525   

TargetProthrombin(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50269525((2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tet...)
Affinity DataIC50: 50nMAssay 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