Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50058979'   

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))	BDBM50058979 (3-(2,5-Dioxo-3-phenyl-imidazolidine-1-sulfonyl)-be...) Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C16H12N2O6S/c19-14-10-17(12-6-2-1-3-7-12)16(22)18(14)25(23,24)13-8-4-5-11(9-13)15(20)21/h1-9H,10H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suntory Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreas alpha-chymotrypsin in vitro				J Med Chem 40: 2156-63 (1997) Article DOI: 10.1021/jm960793t BindingDB Entry DOI: 10.7270/Q2QJ7GDG
					More data for this Ligand-Target Pair