BDBM50003163 (S)-1-((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-pyrrolidine-2-carboxylic acid::1-(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-pyrrolidine-2-carboxylic acid::1-(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-pyrrolidine-2-carboxylic acid (L-658758)::1-(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-pyrrolidine-2-carboxylic acid(L-658,758)::CHEMBL446371::L-658758

SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCCC1C(O)=O)=C(COC(C)=O)CS2(=O)=O

InChI Key InChIKey=SMZXYXKZTNLAKY-UHFFFAOYSA-N

Data  1 KI  1 Kon

  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 = 50003163   

TargetNeutrophil elastase(Human)
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50003163(1-(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*...)
Affinity DataKoff:  1.80E+3s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50003163(1-(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*...)
Affinity DataKi:  2.20nMAssay Description:Binding affinity for human leukocyte elastase (HLE); Kreact/KinactMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article