BDBM50058356 1-[(S)-3-Methyl-2-(2,4,6-triisopropyl-benzenesulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL55386
SMILES: CC(C)C(NC(=O)C1CCCN1C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(=O)C(F)(F)F
InChI Key: InChIKey=UNNHXYNSQDWXBL-WNMGUVTHSA-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)) | BDBM50058356 (1-[(S)-3-Methyl-2-(2,4,6-triisopropyl-benzenesulfo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Human Neutrophil Elastase using acute lung injury model (ALIM) assay | J Med Chem 40: 1876-85 (1997) Article DOI: 10.1021/jm960819g BindingDB Entry DOI: 10.7270/Q2X92BZJ | |||||||||||
More data for this Ligand-Target Pair |