BDBM50095518 (S)-N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-2-[2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetamidewith 0.7 moles of H20::CHEMBL22927::N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-2-[2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetamide
SMILES: CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)C
InChI Key: InChIKey=STSRCIMCIOZRSK-SFHVURJKSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50095518 ((S)-N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 44.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cortech, Inc. Curated by ChEMBL | Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate | J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50095518 ((S)-N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 44.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa | J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S | |||||||||||
More data for this Ligand-Target Pair |