BDBM222122 2-(2,6-Dimethoxyphenyl)-4H-3,1-benzoxazin-4-one (11)

SMILES: COc1cccc(OC)c1-c1nc2ccccc2c(=O)o1

InChI Key: InChIKey=FKRBKNABKXPYOK-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 222122   

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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM222122 (2-(2,6-Dimethoxyphenyl)-4H-3,1-benzoxazin-4-one (1...) Show SMILES COc1cccc(OC)c1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C16H13NO4/c1-19-12-8-5-9-13(20-2)14(12)15-17-11-7-4-3-6-10(11)16(18)21-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.77E+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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM222122 (2-(2,6-Dimethoxyphenyl)-4H-3,1-benzoxazin-4-one (1...) Show SMILES COc1cccc(OC)c1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C16H13NO4/c1-19-12-8-5-9-13(20-2)14(12)15-17-11-7-4-3-6-10(11)16(18)21-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+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