BDBM12953 (2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methyl-2-[(2S)-3-phenyl-2-[1-(thiophen-2-yl)acetamido]propanamido]butanamide::alpha-ketothiazole analogue 13

SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1

InChI Key InChIKey=WASLQYODSWOTSI-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 = 12953   

TargetCoagulation factor XI(Human)
Daiichi Asubio Medical Research Laboratories

LigandChemical structure of BindingDB Monomer ID 12953BDBM12953((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)
Affinity DataIC50: 2.60E+3nMpH: 7.4 T: 2°CAssay Description:Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/8/2007
Entry Details Article
PubMed