Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM213725'   

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))	BDBM213725 (US9284284, 16) Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccn2)ccc1F |r,t:1| Show InChI InChI=1S/C15H14F3N5O/c16-11-3-2-9(22-14-20-4-1-5-21-14)6-10(11)15(13(17)18)8-24-7-12(19)23-15/h1-6,13H,7-8H2,(H2,19,23)(H,20,21,22)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	4.5	25
NOVARTIS AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...				US Patent US9284284 (2016) BindingDB Entry DOI: 10.7270/Q25D8QP0
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