BDBM50285281 2,6-Dichloro-benzoic acid 4,5-dimethoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL416154
SMILES: COc1ccc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c1OC
InChI Key: InChIKey=HSVCPJGWRKWRKT-UHFFFAOYSA-N
Data: 1 KI
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)) | BDBM50285281 (2,6-Dichloro-benzoic acid 4,5-dimethoxy-1,1,3-trio...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact) | Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN | |||||||||||
More data for this Ligand-Target Pair |