Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50324906'   

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))	BDBM50324906 (4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(2...) Show SMILES Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CCNC1 Show InChI InChI=1S/C17H24ClN5O/c18-13-3-4-15-14(10-13)22-17(19)23(15)9-1-2-16(24)21-8-6-12-5-7-20-11-12/h3-4,10,12,20H,1-2,5-9,11H2,(H2,19,22)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.44E+5	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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