BDBM50037115 2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL25490
SMILES: CC(C)C(NC(=O)Cn1cccc(NC(C)=O)c1=O)C(=O)C(F)(F)F
InChI Key: InChIKey=QIOIVBRPECJGDP-UHFFFAOYSA-N
Data: 2 KI
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)) | BDBM50037115 (2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
A Business Unit of ZENECA Inc. Curated by ChEMBL | Assay Description The compound was tested in vitro for ability to inhibit human leukocyte elastase activity | J Med Chem 37: 3090-9 (1994) BindingDB Entry DOI: 10.7270/Q2Z0375K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50037115 (2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
ZENECA Pharmaceuticals Group Curated by ChEMBL | Assay Description Inhibition of Human Leukocyte Elastase (HLE) | J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P | |||||||||||
More data for this Ligand-Target Pair |