BDBM50039646 2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic acid 4-isopropyl-1,1,3-trioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thiophen-2-ylmethyl ester; hydrochloride::CHEMBL539031
SMILES: CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
InChI Key: InChIKey=HROGKJXKWGBGNG-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)) | BDBM50039646 (2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 0.0100 | 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 |