BDBM12949 alpha-ketothiazole analogue 9::ethyl 2-({[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}amino)-3-phenylpropanoate

SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1

InChI Key InChIKey=UTEXGFDANYLUJJ-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 12949   

TargetCoagulation factor X(Human)
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12949(ethyl 2-({[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamid...)
Affinity DataIC50: 1.43E+4nMAssay 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
TargetProthrombin(Human)
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12949(ethyl 2-({[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamid...)
Affinity DataIC50: 2.10E+3nMAssay 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
TargetCoagulation factor XI(Human)
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12949(ethyl 2-({[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamid...)
Affinity DataIC50: 258nMpH: 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