Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50130866'   

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))	BDBM50130866 (CHEMBL3632755) Show SMILES CC(C)c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C18H19N3O/c1-10(2)13-4-3-5-14(17(13)22)16-9-12-8-11(18(19)20)6-7-15(12)21-16/h3-10,21-22H,1-2H3,(H3,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Limited Curated by ChEMBL					Assay Description Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate				Bioorg Med Chem Lett 25: 5309-14 (2015) Article DOI: 10.1016/j.bmcl.2015.09.042 BindingDB Entry DOI: 10.7270/Q24B335X
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