BDBM50024652 3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one::CHEMBL7839
SMILES: CCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O
InChI Key: InChIKey=LTADLMJNGHICOX-UHFFFAOYSA-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)) | BDBM50024652 (3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one | CHEM...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity was evaluated against human leukocyte elastase | J Med Chem 28: 1106-9 (1985) BindingDB Entry DOI: 10.7270/Q2610ZBW | |||||||||||
More data for this Ligand-Target Pair |