BDBM50286332 4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one::CHEMBL112205
SMILES: COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(C(C)C)c1OC
InChI Key: InChIKey=OWTGLVSBYWVWOW-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)) | BDBM50286332 (4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 5.20 | 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)) | BDBM50286332 (4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H...) | 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 | 1.18E+4 | 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)) | BDBM50286332 (4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H...) | 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 | 0.0000610 | 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 |