Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50069104'   

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 (Sus scrofa)	BDBM50069104 (CHEMBL1449583 | US9182402, 4) Show SMILES Cc1cccc(c1)C1Nc2cccc3cccc(N1)c23 Show InChI InChI=1S/C18H16N2/c1-12-5-2-8-14(11-12)18-19-15-9-3-6-13-7-4-10-16(20-18)17(13)15/h2-11,18-20H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fred Hutchinson Cancer Research Center US Patent					Assay Description To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleav...				US Patent US9182402 (2015) BindingDB Entry DOI: 10.7270/Q23F4NF7
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