BDBM189821 US9174997, 36
SMILES: CN1CC2=C([C@H](N(C(=O)N2c2cccc(c2)C(F)(F)F)S(C)(=O)=O)c2ccc(cc2S(C)(=O)=O)C#N)C1=O
InChI Key: InChIKey=CXQUELQTPOBOKG-HXUWFJFHSA-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)) | BDBM189821 (US9174997, 36) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Bayer Intellectual Property GmbH US Patent | Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept... | US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ | |||||||||||
More data for this Ligand-Target Pair |