BDBM50061047 ((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl-2-phenoxycarbonylamino-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-oxo-hexyl)-carbamic acid butyl ester::CHEMBL108477
SMILES: CCCCOC(=O)NCC(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C
InChI Key: InChIKey=VNAXMQBGYGXLGJ-VABKMULXSA-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)) | BDBM50061047 (((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human leukocyte elastase | J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85 | |||||||||||
More data for this Ligand-Target Pair |