BDBM50098832 CHEMBL282947::N-[1-(5-tert-Butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-2-(6-oxo-2-phenyl-6H-pyrimidin-1-yl)-acetamide
SMILES: CC(C)[C@H](NC(=O)Cn1c(nccc1=O)-c1ccccc1)C(=O)c1nnc(o1)C(C)(C)C
InChI Key: InChIKey=OGKPWZJGSYIJSS-SFHVURJKSA-N
Data: 1 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)) | BDBM50098832 (CHEMBL282947 | N-[1-(5-tert-Butyl-[1,3,4]oxadiazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 23.5 | 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 |