BDBM50029702 3-Chloro-2-(4-isopropyl-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethoxy)-pyrido[1,2-a]pyrimidin-4-one::CHEMBL356732
SMILES: CC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O
InChI Key: InChIKey=IZOGWZMDGOQIKF-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil elastase (Homo sapiens (Human)) | BDBM50029702 (3-Chloro-2-(4-isopropyl-1,1,3-trioxo-1,3-dihydro-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.210 | 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 | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50029702 (3-Chloro-2-(4-isopropyl-1,1,3-trioxo-1,3-dihydro-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | n/a | n/a | 4.30E+4 | 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 |