BDBM12972 (2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}amino)-3-(4-hydroxyphenyl)propanamido]-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methylbutanamide::alpha-ketothiazole analogue 32

SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1

InChI Key InChIKey=XOPHHKQWDWBCDG-DCSNJQJVSA-N

Data  7 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 7 hits for monomerid = 12972   

TargetCoagulation factor X(Homo sapiens (Human))
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  1.60E+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 DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  2.04E+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 DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  6nMAssay 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 DepthDetails ArticlePubMed
TargetPlasma kallikrein(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  10nMAssay Description:Inhibition of kallikreinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human factor 11aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Daiichi Asubio Medical Research Laboratories

LigandPNGBDBM12972((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed