BDBM211813 US9290459, 30A::US9475779, C.2A::US9670166, 30A
SMILES: CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N
InChI Key: InChIKey=CQUQPUFUWYQFHE-GGPMTTHASA-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)) | BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | 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)) | BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30 | 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)) | BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.30 | 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)) | BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Boehringer Ingelheim International GmbH US Patent | Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p... | US Patent US9475779 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G77 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim International GmbH US Patent | Assay Description The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of... | US Patent US9475779 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G77 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Boehringer Ingelheim International GmbH US Patent | Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p... | US Patent US9475779 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G77 | |||||||||||
More data for this Ligand-Target Pair |