BDBM50096486 CHEMBL2367646::benzyl (3aS,6aR)-4-acetyl-6-allyl-5-oxohexahydropyrrolo[3,2-b]pyrrole-1(2H)-carboxylate
SMILES: [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(C)=O
InChI Key: InChIKey=PHAYEXZAKQRIHL-IXDOHACOSA-N
Data: 1 IC50
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)) | BDBM50096486 (CHEMBL2367646 | benzyl (3aS,6aR)-4-acetyl-6-allyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL | Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE) | Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH | |||||||||||
More data for this Ligand-Target Pair |