Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50130870'   

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))	BDBM50130870 (CHEMBL3632759) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(n1)C1(O)CCCCC1 Show InChI InChI=1S/C20H22N4O/c21-19(22)13-7-8-15-14(11-13)12-17(23-15)16-5-4-6-18(24-16)20(25)9-2-1-3-10-20/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	400	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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