BDBM12961 (2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamoyl}-2,2-dimethylpropyl]-2-({[(3,4-dichlorophenyl)methyl]carbamoyl}amino)-4-methylpentanamide::alpha-ketothiazole analogue 21

SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1)C([#6])([#6])[#6]

InChI Key InChIKey=NRSSQVKSZUAWNH-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 12961   

TargetCoagulation factor XI(Human)
Daiichi Asubio Medical Research Laboratories

LigandChemical structure of BindingDB Monomer ID 12961BDBM12961((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Affinity DataIC50: 9.20E+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
TargetProthrombin(Human)
Daiichi Asubio Medical Research Laboratories

LigandChemical structure of BindingDB Monomer ID 12961BDBM12961((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Affinity DataIC50: 1.20E+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
TargetCoagulation factor X(Human)
Daiichi Asubio Medical Research Laboratories

LigandChemical structure of BindingDB Monomer ID 12961BDBM12961((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)
Affinity DataIC50: 2.00E+5nMAssay 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