BDBM50501887 CHEMBL4454043

SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#8-]S(=O)(=O)[#8]-c1cc(-[#8]-[#6]-[#6]-[#6]-[#8]-c2cc(ccc2-[#8]S([#8-])(=O)=O)-c2oc3cc(-[#8]S([#8-])(=O)=O)cc(-[#8]-[#6]-[#6]-[#6]-[#8]-c4cc(-[#8]S([#8-])(=O)=O)cc5oc(-c6ccc(-[#8]S([#8-])(=O)=O)c(-[#8]S([#8-])(=O)=O)c6)c(-[#8]S([#8-])(=O)=O)c(=O)c45)c3c(=O)c2-[#8]S([#8-])(=O)=O)c2c(c1)oc(-c1ccc(-[#8]S([#8-])(=O)=O)c(-[#8]S([#8-])(=O)=O)c1)c(-[#8]S([#8-])(=O)=O)c2=O

InChI Key InChIKey=XIWBMRKOSIVPCU-UHFFFAOYSA-C

Data  1 IC50

  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 = 50501887   

TargetNeutrophil elastase(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50501887(CHEMBL4454043)
Affinity DataIC50:  2.19E+3nMAssay Description:Inhibition of human neutrophil elastase using S1384 as substrate preincubated for 5 mins followed by substrate additionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed