Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-3' and Ligand = 'BDBM50131976'   

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))	BDBM50131976 (1-Acetyl-pyrrolidine-2-carboxylic acid [1-(benzoth...) Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C20H26N6O3S/c1-12(27)26-11-5-8-15(26)18(29)24-14(7-4-10-23-20(21)22)17(28)19-25-13-6-2-3-9-16(13)30-19/h2-3,6,9,14-15H,4-5,7-8,10-11H2,1H3,(H,24,29)(H4,21,22,23)/t14-,15+/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	4	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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