BDBM50095530 (S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(3-methyl-1-oxo-1-(5-(2-phenylpropan-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-phenyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamidewith 1 mole of H20::2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-{2-methyl-1-[5-(1-methyl-1-phenyl-ethyl)-[1,3,4]oxadiazole-2-carbonyl]-propyl}-acetamide::CHEMBL277672

SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1

InChI Key InChIKey=AAEGBXIWQZHRAP-QFIPXVFZSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50095530   

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

Curated by ChEMBL
LigandPNGBDBM50095530((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Affinity DataKi:  0.520nMAssay 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
LigandPNGBDBM50095530((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Affinity DataKi:  0.520nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Colorado State University

Curated by ChEMBL
LigandPNGBDBM50095530((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...)
Affinity DataKi:  0.520nMAssay Description:Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed