Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-3' and Ligand = 'BDBM50131988'   

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-3 (Homo sapiens (Human))	BDBM50131988 (2-[1-(Benzothiazole-2-carbonyl)-4-guanidino-butylc...) Show SMILES COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C19H26N6O5S2/c1-30-32(28,29)25-11-5-8-14(25)17(27)23-13(7-4-10-22-19(20)21)16(26)18-24-12-6-2-3-9-15(12)31-18/h2-3,6,9,13-14H,4-5,7-8,10-11H2,1H3,(H,23,27)(H4,20,21,22)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Beta-Trypsin inhibitory activity of compound was determined				J Med Chem 46: 3865-76 (2003) Article DOI: 10.1021/jm030050p BindingDB Entry DOI: 10.7270/Q23T9J0V
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