BDBM50303363 2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthio)benzo[d]-oxazole-6-carboxylic acid::CHEMBL568217
SMILES: CCC1(CC)C(=O)N(C1=O)c1ccc(CSc2nc3cc(ccc3o2)C(O)=O)cc1
InChI Key: InChIKey=JWJMGNYAKNROTK-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)) | BDBM50303363 (2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human leukocyte elastase after 20 mins | J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50303363 (2-(4-(3,3-Diethyl-2,4-dioxoazetidin-1-yl)benzylthi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a |
University of Lisbon Curated by ChEMBL | Assay Description Inhibition of human leukocyte elastase after 20 mins | J Med Chem 53: 241-53 (2010) Article DOI: 10.1021/jm901082k BindingDB Entry DOI: 10.7270/Q23B607D | |||||||||||
More data for this Ligand-Target Pair |