Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50513212'   

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))	BDBM50513212 (CHEMBL4467388) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Nc1cccc(NC(N)=N)c1 Show InChI InChI=1S/C15H17N7O/c16-14(17)21-10-6-4-9(5-7-10)13(23)20-11-2-1-3-12(8-11)22-15(18)19/h1-8H,(H,20,23)(H4,16,17,21)(H4,18,19,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate preincubated with enzyme for 15 mins followed by addition of substrate ...				Eur J Med Chem 176: 187-194 (2019) Article DOI: 10.1016/j.ejmech.2019.05.025 BindingDB Entry DOI: 10.7270/Q2Q81HDV
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