BDBM50036477 2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic acid 4-isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic acid 4-isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester(WIN63759)::CHEMBL114992::WIN-63759
SMILES: COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
InChI Key: InChIKey=AGROLWZEYXFDEB-UHFFFAOYSA-N
Data: 2 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)) | BDBM50036477![]() (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 Similars | PubMed | 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Binding affinity against Elastase. | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50036477![]() (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 Similars | PubMed | 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Inc. Curated by ChEMBL | Assay Description Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constant | J Med Chem 38: 739-44 (1995) BindingDB Entry DOI: 10.7270/Q2W66JTD | |||||||||||
More data for this Ligand-Target Pair |