BDBM50450929 CHEMBL2029143::CHEMBL3142450

SMILES CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](OCCOCCOCCOCCNC(=O)c6ccc(NC(=O)CSC[C@H](NS(=O)(=O)c7ccc8ccccc8c7)C(=O)NC(Cc7ccc(cc7)C(N)=N)C(=O)N7CCCC=C7)cc6)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)[C@H](OC)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3OS(O)(=O)=O)[C@H](OC)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O

InChI Key InChIKey=VLZCWFKBKGLWRZ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50450929   

TargetProthrombin(Human)
Gorlaeus Laboratories

Curated by ChEMBL
LigandPNGBDBM50450929(CHEMBL2029143 | CHEMBL3142450)
Affinity DataIC50: 350nMAssay Description:In vitro anti-thrombin activity was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2012
Entry Details Article
PubMed