BDBM50282864 2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL50526
SMILES: Cn1cnnc1SCN1C(=O)c2ccccc2S1(=O)=O
InChI Key: InChIKey=OJJCDCHQZPCTHN-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)) | BDBM50282864 (2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent binding constant | Bioorg Med Chem Lett 4: 1801-1806 (1994) Article DOI: 10.1016/S0960-894X(01)80374-7 BindingDB Entry DOI: 10.7270/Q25M65PP | |||||||||||
More data for this Ligand-Target Pair |