BDBM50037973 (R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2-(naphthalene-2-sulfonylamino)-3-phenyl-propionamide; hydrochloride::CHEMBL544830

SMILES [H]/N=C(\N)/N1CCC[C@H](C1)CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c3ccc4ccccc4c3

InChI Key InChIKey=WWJJOLLOSVQTGQ-UHFFFAOYSA-N

Data  4 KI

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50037973   

TargetProthrombin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037973((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...)
Affinity DataKi:  32nMAssay Description:In vitro binding affinity by measuring the inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037973((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...)
Affinity DataKi:  47nMAssay Description:In vitro binding affinity by measuring the inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine protease 1(Bovine)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037973((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...)
Affinity DataKi:  2.60E+4nMAssay Description:In vitro binding affinity by measuring the inhibition of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetSerine protease 1(Bovine)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037973((R)-N-((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-2...)
Affinity DataKi:  4.20E+4nMAssay Description:In vitro binding affinity by measuring the inhibition of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed