BDBM50228717 (6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-4-guanidino-1-(1-methyl-1H-imidazole-2-carbonyl)-butyl]-amide::(6S,8aS)-N-((S)-5-guanidino-1-(1-methyl-1H-imidazol-2-yl)-1-oxopentan-2-yl)-4-oxo-2-(3-phenylpropanoyl)-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide::CHEMBL256030

SMILES [#6]-n1ccnc1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-1-2)-[#6](=O)-[#6]-[#6]-c1ccccc1

InChI Key InChIKey=HUXGNFSKJFYXEL-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50228717   

TargetProthrombin(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50228717((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50: 2.37E+3nMAssay Description:Inhibition of human ThrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50228717((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50: 2.40E+3nMAssay 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(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50228717((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50: 2.74E+4nMAssay Description:In vitro inhibitory activity against human trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed