BDBM50005158 4-{(2-Benzyloxycarbonylamino-3-methyl-butyryl)-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-amino}-piperidine-1-carboxylic acid ethyl ester::CHEMBL351784
SMILES: CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc1ccccc1)C(C)C
InChI Key: InChIKey=QSZWXTATIAPGTB-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)) | BDBM50005158 (4-{(2-Benzyloxycarbonylamino-3-methyl-butyryl)-[(3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 507 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against human leukocyte elastase | J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9 | |||||||||||
More data for this Ligand-Target Pair |