BDBM50065164 (S)-1-{(R)-3,3-Dimethyl-2-[4-(morpholine-4-carbonyl)-benzoylamino]-butyryl}-pyrrolidine-2-carboxylic acid ((S)-3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL309412
SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F
InChI Key: InChIKey=NPVAQLMYRQNOIS-FKBYEOEOSA-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)) | BDBM50065164 ((S)-1-{(R)-3,3-Dimethyl-2-[4-(morpholine-4-carbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 240 | 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 |