BDBM50037342 1N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)-2-(3-amino-sulfonylaminomethyl-2-oxo-6-phenyl-1,2-dihydro-1-pyridinyl)acetamide::2-[3-(Methylaminosulfamide-amino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL279250
SMILES: CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O
InChI Key: InChIKey=MYFMPKCOIMRDDD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50037342 (1N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)-2-(3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zeneca Pharmaceuticals Group Curated by ChEMBL | Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme | J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50037342 (1N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)-2-(3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 18 | 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 |