BDBM50039639 2,6-Difluoro-benzoic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL89299
SMILES: Fc1cccc(F)c1C(=O)OCN1C(=O)c2ccccc2S1(=O)=O
InChI Key: InChIKey=NOTKLKJXCAFWQI-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 |
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Leukocyte elastase (Homo sapiens (Human)) | BDBM50039639 (2,6-Difluoro-benzoic acid 1,1,3-trioxo-1,3-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceutical Research Division Curated by ChEMBL | Assay Description In vitro inhibition constant of human leukocyte elastase. | J Med Chem 37: 2623-6 (1994) BindingDB Entry DOI: 10.7270/Q2ST7QGN | |||||||||||
More data for this Ligand-Target Pair |