BDBM50324476 Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-chlorobenzyl)-amide Bis(trifluoroacetate)::CHEMBL1215084

SMILES [H]/N=C(\N)/NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3

InChI Key InChIKey=MWLLGEVAEDIFRC-UHFFFAOYSA-N

Data  5 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50324476   

TargetProthrombin(Human)
Philipps-Universit£T Marburg

Curated by ChEMBL
LigandPNGBDBM50324476(Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...)
Affinity DataKi:  0.290nMAssay Description:Inhibition of thrombin (unknown origin) using Tos-Gly-Pro-Arg-AMCA-TFA as a substrate incubated for 40 secs and measured every 15 secs interval for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Philipps-Universit£T Marburg

Curated by ChEMBL
LigandPNGBDBM50324476(Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...)
Affinity DataKi:  1nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSuppressor of tumorigenicity 14 protein(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50324476(Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...)
Affinity DataKi:  220nMAssay Description:Inhibition of human recombinant matriptase catalytic domain expressed in HEK293 cells after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetTransmembrane protease serine 6(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50324476(Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant matriptase 2 expressed in HEK293 cells in conditioned medium after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetTransmembrane protease serine 6(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50324476(Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human purified matriptase 2 catalytic domain expressed in HEK293 cells after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed