BDBM50072736 (6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-amide::(S)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-2-thiazol-2-yl-ethyl]-amide::CHEMBL332716

SMILES NC(=N)N1CCCC(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)C(=O)c2nccs2)C1

InChI Key InChIKey=MBTNEZJRUOUOHC-KVROEHFOSA-N

Data  2 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50072736   

TargetProthrombin(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072736((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataKi:  3.5nMAssay Description:Inhibitory activity of the compound towards ThrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072736((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibitory activity of the compound towards TrypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072736((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50:  4.35E+3nMAssay Description:Inhibitory activity of the compound towards TrypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072736((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50:  4.36E+3nMAssay Description:In vitro inhibitory activity against against trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072736((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50:  30nMAssay Description:In vitro inhibitory activity against thrombin(FIIa)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50072736((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Affinity DataIC50:  30nMAssay Description:Inhibitory activity of the compound towards ThrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed