Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50324913'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50324913 (4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(c...) Show SMILES CN(CC1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H27ClN4O/c1-23(13-14-6-3-2-4-7-14)18(25)8-5-11-24-17-10-9-15(20)12-16(17)22-19(24)21/h9-10,12,14H,2-8,11,13H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec UK Ltd Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay				Bioorg Med Chem Lett 20: 5329-33 (2010) Article DOI: 10.1016/j.bmcl.2010.06.089 BindingDB Entry DOI: 10.7270/Q2VQ32W7
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