BDBM50065150 (S)-1-[3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-butyryl]-pyrrolidine-2-carboxylic acid ((S)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL310800
SMILES: CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F
InChI Key: InChIKey=KQQLKIVPLPZVTD-YLGOGADGSA-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)) | BDBM50065150![]() ((S)-1-[3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel Inc. Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase. | J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8 | |||||||||||
More data for this Ligand-Target Pair |