null
SMILES: COc1ccc2[nH]c3c(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C3=O)c2c1
InChI Key: InChIKey=QMDOSKPZTDHPNS-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)) | BDBM50036083 (2-(6-Methoxy-1-oxo-1,3,4,9-tetrahydro-beta-carboli...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA | J Med Chem 38: 86-97 (1995) BindingDB Entry DOI: 10.7270/Q2TD9WDR | |||||||||||
More data for this Ligand-Target Pair |