BDBM50269602 CHEMBL448961::cyclotheonamide E4

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

InChI Key InChIKey=SJGLOQSIMVYUEK-BJQFAPFESA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269602   

TargetProthrombin(Homo sapiens (Human))
Kirin Brewery

Curated by ChEMBL
LigandPNGBDBM50269602(CHEMBL448961 | cyclotheonamide E4)
Affinity DataIC50:  7.40nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed