Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50172728'   

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
Trypsin (Homo sapiens (Human))	BDBM50172728 (CHEMBL3809472) Show SMILES Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-25-23-9-8-22(15-20(23)10-12-29-25)31-24-19-6-4-17(5-7-19)11-13-35-27(34)32-21-3-1-2-18(14-21)16-30-26(24)33/h1-10,12,14-15,24,31H,11,13,16H2,(H2,28,29)(H,30,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of purified human trypsin after 30 to 60 mins				J Med Chem 59: 4007-18 (2016) Article DOI: 10.1021/acs.jmedchem.6b00244 BindingDB Entry DOI: 10.7270/Q2B56MNP
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