BDBM50029699 2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl ester::CHEMBL115827
SMILES: COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
InChI Key: InChIKey=ZMRZBNXOVSLTAH-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)) | BDBM50029699 (2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL | Assay Description Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant | J Med Chem 38: 4687-92 (1995) BindingDB Entry DOI: 10.7270/Q2KP816X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50029699 (2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0230 | 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)) | BDBM50029699 (2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...) | 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 | 5.22E+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)) | BDBM50029699 (2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...) | 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 | 0.0000120 | 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 |