BDBM50228857 (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-4-guanidino-1-(1-methyl-1H-benzoimidazole-2-carbonyl)-butyl]-amide::(S)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imidazol-2-yl)-1-oxopentan-2-yl)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamide::CHEMBL256381

SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2n1-[#6]

InChI Key InChIKey=KHSRNBLKGKEQEJ-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50228857   

TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50228857((S)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imid...)
Affinity DataKi:  8.10nMAssay Description:Binding affinity to human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50228857((S)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imid...)
Affinity DataKi:  8.10nMAssay Description:Inhibition of human alpha-thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50228857((S)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imid...)
Affinity DataKi:  8.10nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228857((S)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imid...)
Affinity DataKi:  290nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2012
Entry Details Article
PubMed