Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50513217'   

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))	BDBM50513217 (CHEMBL4439506) Show SMILES NC(=N)NCCCCOC(=O)c1ccc(NC(N)=N)cc1 Show InChI InChI=1S/C13H20N6O2/c14-12(15)18-7-1-2-8-21-11(20)9-3-5-10(6-4-9)19-13(16)17/h3-6H,1-2,7-8H2,(H4,14,15,18)(H4,16,17,19)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.27E+3	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
					More data for this Ligand-Target Pair