Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM222118'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chymotrypsinogen A (Bos taurus (bovine))	BDBM222118 (2-(4-Methoxyphenyl)-4H-3,1-benzoxazin-4-one (5)) Show SMILES COc1ccc(cc1)-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C15H11NO3/c1-18-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(17)19-14/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.26E+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))	BDBM222118 (2-(4-Methoxyphenyl)-4H-3,1-benzoxazin-4-one (5)) Show SMILES COc1ccc(cc1)-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C15H11NO3/c1-18-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(17)19-14/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+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