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 CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@H]6OC(=O)[C@@]56C)[C@H]4CC[C@@]3(C)[C@@H]21

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
LigandChemical structure of BindingDB Monomer ID 50269525BDBM50269525((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