Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM134448'   

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))	BDBM134448 (US8846658, 167) Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1| Show InChI InChI=1S/C19H16F3N5O3/c1-2-5-30-16-8-24-14(7-25-16)17(28)26-11-3-4-13(20)12(6-11)19(18(21)22)10-29-9-15(23)27-19/h1,3-4,6-8,18H,5,9-10H2,(H2,23,27)(H,26,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	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 10 nM concentrations is incubated w...				US Patent US8846658 (2014) BindingDB Entry DOI: 10.7270/Q2PN94BX
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