BDBM50035494 CHEMBL429359::N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-terephthalamic acid tert-butyl ester
SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
InChI Key: InChIKey=NKYBNYWDYDMCHF-YSTUSHMSSA-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)) | BDBM50035494 (CHEMBL429359 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 21 | 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 inhibition of human neutrophil elastase | J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X | |||||||||||
More data for this Ligand-Target Pair |