BDBM50005897 CHEMBL40840::Carbonic acid 8-butoxycarbonyloxy-3-methyl-9,10-dioxo-6-propoxy-9,10-dihydro-anthracen-1-yl ester butyl ester
SMILES: CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OCCC)cc(OC(=O)OCCCC)c3C(=O)c12
InChI Key: InChIKey=RWILLFCERJAPBL-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)) | BDBM50005897 (CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 150 | 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 HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot | 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)) | BDBM50005897 (CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.80E+3 | 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 |