BDBM50025856 6-(1-Butyl-heptyl)-4-hydroxy-pyran-2-one::CHEMBL12969
SMILES: CCCCCCC(CCCC)c1cc(O)cc(=O)o1
InChI Key: InChIKey=TZOCGXVDSXCGTF-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)) | BDBM50025856 (6-(1-Butyl-heptyl)-4-hydroxy-pyran-2-one | CHEMBL1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.62E+6 | 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 |