BDBM50005903 CHEMBL44123::Carbonic acid 8-butoxycarbonyloxy-7-hexyl-9,10-dioxo-9,10-dihydro-anthracen-1-yl ester butyl ester
SMILES: CCCCCCc1ccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c2c1OC(=O)OCCCC
InChI Key: InChIKey=FHUKHJJQKRNEAN-UHFFFAOYSA-N
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)) | BDBM50005903 (CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) | J Med Chem 35: 1597-605 (1992) BindingDB Entry DOI: 10.7270/Q2QN67D7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50005903 (CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Chemistry and Biochemistry Curated by ChEMBL | Assay Description In vitro inhibition of human leukocyte elastase. | J Med Chem 35: 1597-605 (1992) BindingDB Entry DOI: 10.7270/Q2QN67D7 | |||||||||||
More data for this Ligand-Target Pair |