BDBM50004190 3-Acetoxymethyl-7-methyl-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL145953
SMILES: C[C@H]1[C@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O
InChI Key: InChIKey=FZSXTEWUAWLYKA-OQPBUACISA-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)) | BDBM50004190 (3-Acetoxymethyl-7-methyl-5,5,8-trioxo-5lambda*6*-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 107 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 | J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5 | |||||||||||
More data for this Ligand-Target Pair |