Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM191638'   

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)	BDBM191638 (US9182402, 11) Show SMILES COc1cccc(OCCOc2cccc(\C=c3/sc4nc5ccccc5n4c3=O)c2)c1 Show InChI InChI=1S/C25H20N2O4S/c1-29-18-7-5-9-20(16-18)31-13-12-30-19-8-4-6-17(14-19)15-23-24(28)27-22-11-3-2-10-21(22)26-25(27)32-23/h2-11,14-16H,12-13H2,1H3/b23-15-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+3	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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