Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM222120'   

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))	BDBM222120 (2-(2,6-Difluorophenyl)-4H-3,1-benzoxazin-4-one (8)) Show SMILES Fc1cccc(F)c1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H7F2NO2/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.01E+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))	BDBM222120 (2-(2,6-Difluorophenyl)-4H-3,1-benzoxazin-4-one (8)) Show SMILES Fc1cccc(F)c1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H7F2NO2/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(18)19-13/h1-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+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