Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease hepsin' and Ligand = 'BDBM50187707'   

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))	BDBM50187707 (CHEMBL3827292) Show SMILES COc1ccc(cc1)-c1ccc(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N Show InChI InChI=1S/C22H19N3O2/c1-27-17-6-2-13(3-7-17)14-5-9-21(26)18(11-14)20-12-16-10-15(22(23)24)4-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+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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