BDBM50095519 (S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{1-[5-(1-benzo[1,3]dioxol-5-yl-1-methyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-2-methyl-propyl}-acetamide with 0.5 moles of H20::2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{1-[5-(1-benzo[1,3]dioxol-5-yl-1-methyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-2-methyl-propyl}-acetamide::CHEMBL279941

SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccc2OCOc2c1

InChI Key InChIKey=LPMFMAXZBCKJDY-QHCPKHFHSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095519   

TargetNeutrophil elastase(Homo sapiens (Human))
Cortech

Curated by ChEMBL
LigandPNGBDBM50095519((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...)
Affinity DataKi:  1.18nMAssay Description:Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Cortech

Curated by ChEMBL
LigandPNGBDBM50095519((S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimi...)
Affinity DataKi:  1.18nMAssay Description:Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed