Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease hepsin' and Ligand = 'BDBM50187708'   

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
Serine protease hepsin (Homo sapiens (Human))	BDBM50187708 (CHEMBL3827374) Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(ccc1O)-c1ccccc1 Show InChI InChI=1S/C21H17N3O/c22-21(23)15-6-8-18-16(10-15)12-19(24-18)17-11-14(7-9-20(17)25)13-4-2-1-3-5-13/h1-12,24-25H,(H3,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of recombinant human hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Eur J Med Chem 118: 208-218 (2016) Article DOI: 10.1016/j.ejmech.2016.04.033 BindingDB Entry DOI: 10.7270/Q2TX3HB6
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