BDBM50084228 2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxazin-4-one::2-Diethylamino-5-methyl-thieno[2,3-d][1,3]oxazin-4-one::CHEMBL153631
SMILES: CCN(CC)c1nc2scc(C)c2c(=O)o1
InChI Key: InChIKey=GDEMQONFUDCKJA-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)) | BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leipzig Curated by ChEMBL | Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase | J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholesterol esterase (Bos taurus) | BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry | J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibitory activity AChE from Electrophorus electricus using ATCh substrate and DTNB by spectrophotometry | J Med Chem 48: 8270-88 (2005) Article DOI: 10.1021/jm0508639 BindingDB Entry DOI: 10.7270/Q2GQ6XB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50084228 (2-(diethylamino)-5-methyl-4H-thieno[2,3-d][1,3]oxa...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Leipzig Curated by ChEMBL | Assay Description Inhibitory activity of the compound was tested against human leukocyte elastase | J Med Chem 42: 5437-47 (2000) BindingDB Entry DOI: 10.7270/Q2K936RG | |||||||||||
More data for this Ligand-Target Pair |