BDBM50072740 (6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide::(6S,8aS)-N-((S)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)-4-oxo-2-(3-phenylpropanoyl)-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide::(S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [4-guanidino-1-((S)-thiazole-2-carbonyl)-butyl]-amide::CHEMBL324413

SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc1ccccc1)C(=O)c1nccs1

InChI Key InChIKey=LAGUWJUZJRIYRI-UHFFFAOYSA-N

Data  3 KI  7 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50072740   

TargetSerine protease 1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 1nMAssay 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
TargetSerine protease 1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 1nMAssay Description:In vitro inhibitory activity against 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
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 5nMAssay Description:In vitro inhibitory activity against thrombin(FIIa)More 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
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human ThrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 1nMAssay Description:Inhibitory activity towards 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
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 5nMAssay Description:Inhibitory activity towards 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
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataIC50: 5nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataKi:  0.600nMAssay Description:Inhibitory activity towards ThrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Rat)
Shire Biochem

Curated by ChEMBL
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataKi:  0.600nMAssay Description:In vitro ability to inhibit the amidolytic activity of 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
LigandPNGBDBM50072740((S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed