Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50058965'   

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))	BDBM50058965 (3-[3-(4-Methyl-piperazine-1-carbonyl)-benzenesulfo...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)N1C(=O)CN(C1=O)c1ccccc1 Show InChI InChI=1S/C21H22N4O5S/c1-22-10-12-23(13-11-22)20(27)16-6-5-9-18(14-16)31(29,30)25-19(26)15-24(21(25)28)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3	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	1.40E+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
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