BDBM50039631 2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL314218
SMILES: CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
InChI Key: InChIKey=WXUKUCNRQVMHNX-UHFFFAOYSA-N
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)) | BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE) | Bioorg Med Chem Lett 5: 325-330 (1995) Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE) | Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0300 | 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 | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Observed binding affinity against Human leukocyte elastase (HLE) | Bioorg Med Chem Lett 5: 325-330 (1995) Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | n/a | n/a | n/a | n/a | 9.00E+5 | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE) | Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | n/a | n/a | n/a | 0.0000270 | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE) | Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60 | |||||||||||
More data for this Ligand-Target Pair |