Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50059003'   

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))	BDBM50059003 (3-(3,4-Dichloro-benzenesulfonyl)-1-(3,4-dichloro-p...) Show SMILES Clc1ccc(cc1Cl)N1CC(=O)N(C1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H8Cl4N2O4S/c16-10-3-1-8(5-12(10)18)20-7-14(22)21(15(20)23)26(24,25)9-2-4-11(17)13(19)6-9/h1-6H,7H2	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	3.70E+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