BDBM50095525 (S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(3-methyl-1-oxo-1-(5-(2-m-tolylpropan-2-yl)-1,3,4-oxadiazol-2-yl)butan-2-yl)acetamide::(S)-2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-m-tolyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamide with 0.5 moles of H20::2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-m-tolyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamide::CHEMBL278134

SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1cccc(C)c1

InChI Key InChIKey=BIGWFGHBXFZSQP-QHCPKHFHSA-N

Data  3 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 3 hits for monomerid = 50095525   

TargetNeutrophil elastase(Homo sapiens (Human))
Colorado State University

Curated by ChEMBL
LigandPNGBDBM50095525((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Affinity DataKi:  1.37nMAssay 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
TargetNeutrophil elastase(Homo sapiens (Human))
Colorado State University

Curated by ChEMBL
LigandPNGBDBM50095525((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Affinity DataKi:  1.37nMAssay 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))
Colorado State University

Curated by ChEMBL
LigandPNGBDBM50095525((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed