BDBM50077011 2-Phenyl-4H-3,1-benzoxazin-4-one (3)::2-Phenyl-benzo[d][1,3]oxazin-4-one::CHEMBL24449
SMILES: O=c1oc(nc2ccccc12)-c1ccccc1
InChI Key: InChIKey=HTTLBYITFHMYFK-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 |
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Adenosine receptor (Rattus norvegicus (rat)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysis | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor (Rattus norvegicus (rat)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR in presence of GTP by radioligand binding assay | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Karachi | Assay Description The change in optical density per minute (OD/min) was obtained by incorporating various concentrations of compounds over a range of substrate (SPpNA)... | Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di L'Aquila Curated by ChEMBL | Assay Description pKi against human leukocyte elastase (HLE) | Bioorg Med Chem Lett 9: 1291-4 (1999) BindingDB Entry DOI: 10.7270/Q27D2TB3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a |
Syntex Research Curated by ChEMBL | Assay Description Component deacylation rate constant for interaction with human leukocyte elastase | J Med Chem 33: 464-79 (1990) Checked by Author BindingDB Entry DOI: 10.7270/Q2PR7X6X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus (rat)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University Curated by ChEMBL | Assay Description Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysis | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | 7.6 | n/a |
University of Karachi | Assay Description The α-chymotrypsin inhibition activity was evaluated in 50 mM Tris-HCl buffer pH 7.6 with 10 mM CaCl2. α-Chymotrypsin (bovine pancreas) at ... | Bioorg Chem 70: 210-221 (2017) Article DOI: 10.1016/j.bioorg.2017.01.001 BindingDB Entry DOI: 10.7270/Q2QR4W00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50077011 (2-Phenyl-4H-3,1-benzoxazin-4-one (3) | 2-Phenyl-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di L'Aquila Curated by ChEMBL | Assay Description In vitro inhibitory activity against human leukocyte elastase (HLE) | Bioorg Med Chem Lett 9: 1291-4 (1999) BindingDB Entry DOI: 10.7270/Q27D2TB3 | |||||||||||
More data for this Ligand-Target Pair |