BDBM50005895 CHEMBL416614::Carbonic acid 4,5-bis-butoxycarbonyloxy-7-methyl-9,10-dioxo-9,10-dihydro-anthracen-2-yl ester butyl ester
SMILES: CCCCOC(=O)Oc1cc(OC(=O)OCCCC)c2C(=O)c3c(OC(=O)OCCCC)cc(C)cc3C(=O)c2c1
InChI Key: InChIKey=NVDYOLNFHCURBN-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)) | BDBM50005895 (CHEMBL416614 | Carbonic acid 4,5-bis-butoxycarbony...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+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 |