BDBM50120438 CHEMBL3617974::US9290459, 23::US9670166, 23
SMILES: CS(=O)(=O)c1cc(ccc1[C@H]1N(CC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
InChI Key: InChIKey=JBUOECXWCJMBOA-JOCHJYFZSA-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)) | BDBM50120438 (CHEMBL3617974 | US9290459, 23 | US9670166, 23) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | <1 | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim International GmbH US Patent | Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro... | US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50120438 (CHEMBL3617974 | US9290459, 23 | US9670166, 23) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Boehringer Ingelheim International GmbH US Patent | Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach... | US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50120438 (CHEMBL3617974 | US9290459, 23 | US9670166, 23) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Boehringer Ingelheim International GmbH US Patent | Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach... | US Patent US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50120438 (CHEMBL3617974 | US9290459, 23 | US9670166, 23) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG Curated by ChEMBL | Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay | Bioorg Med Chem Lett 25: 4370-81 (2015) BindingDB Entry DOI: 10.7270/Q29Z96PX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50120438 (CHEMBL3617974 | US9290459, 23 | US9670166, 23) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase using MeO-Succ-Ala-Ala-Pro-Val-AMC as substrate after 30 mins by fluorescence assay | Bioorg Med Chem Lett 25: 4370-81 (2015) BindingDB Entry DOI: 10.7270/Q29Z96PX | |||||||||||
More data for this Ligand-Target Pair |