Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50324918'   

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))	BDBM50324918 ((S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-...) Show SMILES CC[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C15H21ClN4O/c1-4-11(8-14(21)18-9(2)3)20-13-6-5-10(16)7-12(13)19-15(20)17/h5-7,9,11H,4,8H2,1-3H3,(H2,17,19)(H,18,21)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.95E+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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