BDBM50035487 CHEMBL140639::N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-6-(morpholine-4-carbonyl)-nicotinamide
SMILES: CC(C)[C@H](NC(=O)c1ccc(nc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
InChI Key: InChIKey=ZPTPBHGEHFXVCJ-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)) | BDBM50035487 (CHEMBL140639 | 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 Patents | PubMed | 28 | 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 |