BDBM50037976 CHEMBL341260::{Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid

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

InChI Key InChIKey=ZWJYDBRLGHLMKT-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50037976   

TargetProthrombin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037976({Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-y...)
Affinity DataKi:  0.680nMAssay 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
LigandPNGBDBM50037976({Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-y...)
Affinity DataKi:  150nMAssay 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