BDBM50036044 ((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-((S)-4-methyl-4,5-dihydro-oxazole-2-carbonyl)-propylcarbamoyl]-pyrrolidine-1-carbonyl}-propyl)-carbamic acid benzyl ester::CHEMBL171288
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C1=N[C@@H](C)CO1
InChI Key: InChIKey=SEJKBXHSYBWZIO-QESAQDPVSA-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)) | BDBM50036044 (((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-((S)-4-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala- Ala-Pro-Val-pN | J Med Chem 38: 76-85 (1995) BindingDB Entry DOI: 10.7270/Q2Z60N41 | |||||||||||
More data for this Ligand-Target Pair |