Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50059011'   

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))	BDBM50059011 (3-(4-Chloro-benzenesulfonyl)-1-(4-chloro-phenyl)-i...) Show SMILES Clc1ccc(cc1)N1CC(=O)N(C1=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10Cl2N2O4S/c16-10-1-5-12(6-2-10)18-9-14(20)19(15(18)21)24(22,23)13-7-3-11(17)4-8-13/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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