BDBM50058338 1-[(S)-2-(4-Fluoro-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid (3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-amide::CHEMBL2372976
SMILES: CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
InChI Key: InChIKey=QXGARSOCVVMJQH-BZSNNMDCSA-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)) | BDBM50058338 (1-[(S)-2-(4-Fluoro-benzoylamino)-3-methyl-butyryl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.90 | 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 |