BDBM50036093 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL428848
SMILES: CC(C)C(NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
InChI Key: InChIKey=YFKGOHSTGWLLKN-UHFFFAOYSA-N
Data: 6 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 |
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Neutrophil elastase (Homo sapiens (Human)) | BDBM50036093 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 101 | 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 | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036093 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 101 | 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 inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA | J Med Chem 38: 98-108 (1995) BindingDB Entry DOI: 10.7270/Q2JW8CX7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036093 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of human HLE | Bioorg Med Chem Lett 29: 2535-2550 (2019) Article DOI: 10.1016/j.bmcl.2019.07.033 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036093 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Binding affinity against Elastase. | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036093 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cortech, Inc. Curated by ChEMBL | Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate | J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50036093 (2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Colorado State University Curated by ChEMBL | Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa | J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S | |||||||||||
More data for this Ligand-Target Pair |