BDBM50037983 (2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid ethyl ester; compound with acetic acid::CHEMBL409333

SMILES CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key InChIKey=FFXXELZENRRABS-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50037983   

TargetProthrombin(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037983((2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3...)
Affinity DataKi:  3.10nMAssay 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
PubMed
TargetSerine protease 1(Bovine)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50037983((2R,4R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3...)
Affinity DataKi:  1.10E+3nMAssay 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