BDBM232329 US9346794, 33
SMILES: CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)F
InChI Key: InChIKey=JKWRPJPXBVEAPE-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM232329 (US9346794, 33) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.5 | 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 US9346794 (2016) BindingDB Entry DOI: 10.7270/Q2X63KSJ | |||||||||||
More data for this Ligand-Target Pair |