BDBM50035501 (S)-1-{(S)-3-Methyl-2-[(tetrahydro-pyran-4-carbonyl)-amino]-butyryl}-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL142080
SMILES: CC(C)[C@H](NC(=O)C1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
InChI Key: InChIKey=MTNKQDWREHXWGU-QRFGZVGRSA-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)) | BDBM50035501 ((S)-1-{(S)-3-Methyl-2-[(tetrahydro-pyran-4-carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Marion Merrell Dow Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg | J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X | |||||||||||
More data for this Ligand-Target Pair |