BDBM50003162 CHEMBL123475::{[7-Methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanylmethyl)-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl]-methyl-amino}-acetic acid

SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N(C)CC(O)=O)=C(CSc1ccccn1)CS2(=O)=O

InChI Key InChIKey=NYCPXYOCNMNDOB-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50003162   

TargetNeutrophil elastase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50003162(CHEMBL123475 | {[7-Methoxy-5,5,8-trioxo-3-(pyridin...)
Affinity DataKi:  4.30E+4nMAssay Description:Inhibitory activity against HLE at 10 min (48 mM conc)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2012
Entry Details Article
PubMed