Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-3' and Ligand = 'BDBM50131978'   

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))	BDBM50131978 (1-Benzyl-pyrrolidine-2-carboxylic acid [1-(benzoth...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C25H30N6O2S/c26-25(27)28-14-6-11-19(22(32)24-30-18-10-4-5-13-21(18)34-24)29-23(33)20-12-7-15-31(20)16-17-8-2-1-3-9-17/h1-5,8-10,13,19-20H,6-7,11-12,14-16H2,(H,29,33)(H4,26,27,28)/t19-,20-/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	8	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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