BDBM222121 2-(3-Methylphenyl)-4H-3,1-benzoxazin-4-one (10)
SMILES: Cc1cccc(c1)-c1nc2ccccc2c(=O)o1
InChI Key: InChIKey=QLLAOEHPWSMBGB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chymotrypsinogen A (Bos taurus (bovine)) | BDBM222121 (2-(3-Methylphenyl)-4H-3,1-benzoxazin-4-one (10)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 1.61E+4 | 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 | |||||||||||||
Chymotrypsinogen A (Bos taurus (bovine)) | BDBM222121 (2-(3-Methylphenyl)-4H-3,1-benzoxazin-4-one (10)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.39E+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 |