BDBM50269601 CHEMBL507449::cyclotheonamide E

SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-c1ccccc1

InChI Key InChIKey=GPZQIHHPHMLLIO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50269601   

TargetProthrombin(Human)
Kirin Brewery

Curated by ChEMBL
LigandPNGBDBM50269601(cyclotheonamide E | CHEMBL507449)
Affinity DataIC50: 16.1nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Kirin Brewery

Curated by ChEMBL
LigandPNGBDBM50269601(cyclotheonamide E | CHEMBL507449)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed