Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50158156'   

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))	BDBM50158156 (CHEMBL3781626) Show SMILES COC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C25H33N5O2/c1-32-23-17-29(25(31)30(18-23)22-9-5-8-21(14-22)24(26)27)16-20-10-12-28(13-11-20)15-19-6-3-2-4-7-19/h2-9,14,20,23H,10-13,15-18H2,1H3,(H3,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Curated by ChEMBL					Assay Description Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis				ACS Med Chem Lett 7: 177-81 (2016) Article DOI: 10.1021/acsmedchemlett.5b00357 BindingDB Entry DOI: 10.7270/Q2Z60QZM
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