BDBM50076020 (6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-4-guanidino-1-(pyridine-2-carbonyl)-butyl]-amide::(6S,8aS)-N-((S)-5-guanidino-1-oxo-1-(pyridin-2-yl)pentan-2-yl)-4-oxo-2-(3-phenylpropanoyl)-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide::CHEMBL169946

SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1ccccn1

InChI Key InChIKey=QXCKDSSZBUCQET-UHFFFAOYSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50076020   

TargetSerine protease 1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50076020((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50: 160nMAssay 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
TargetProthrombin(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50076020((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50: 340nMAssay 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
LigandPNGBDBM50076020((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50: 340nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed