BDBM50071693 CHEMBL38927::CVS-1578::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide::N-(1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide

SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

InChI Key InChIKey=SPUAEQJRVQHWKF-UHFFFAOYSA-N

Data  1 KI  17 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 18 hits for monomerid = 50071693   

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 6.20nMAssay Description:In vitro inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) by 50%More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetTissue-type plasminogen activator(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibitory concentration required to inhibit human Tissue type plasminogen activator was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibitory concentration required to inhibit human factor Xa enzyme was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 6.20nMAssay Description:Inhibitory concentration required to inhibit human thrombin enzyme was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetPlasminogen(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibitory concentration required to inhibit human plasmin enzyme was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 791nMAssay Description:Inhibitory concentration required to inhibit human trypsin enzyme was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 1.27E+3nMAssay Description:The compound was tested in vitro for inhibitory activity against human trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:The compound was tested in vitro for inhibitory activity against Coagulation factor XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 6.20nMAssay Description:The compound was tested in vitro for inhibitory activity against Coagulation factor IIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 791nMAssay Description:In vitro inhibitory activity was evaluated against human trypsin cleavage of the chromogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:In vitro inhibitory concentration required to inhibit Coagulation factor X by 50%More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 791nMAssay Description:In vitro inhibitory concentration required to inhibit human serine protease enzyme human trypsin by 50%More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 1.27E+3nMAssay Description:In vitro inhibitory activity was evaluated against human trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:In vitro inhibitory activity was evaluated against Coagulation factor XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 6.20nMAssay Description:In vitro inhibitory activity was evaluated against thrombin (FIIa)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPlasminogen(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:In vitro inhibitory activity was evaluated against thrombolytic enzyme plasminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataIC50: 2.50E+3nMAssay Description:In vitro inhibitory activity was evaluated against thrombin factor Xa (FXa)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50071693(N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2...)
Affinity DataKi:  1nMAssay Description:Evaluation of inhibition of transition state thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed