Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM155129'   

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))	BDBM155129 (US9000184, 3) Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(F)c1 |c:4,t:1| Show InChI InChI=1S/C21H19F2N3/c1-12-19(24)26-21(25-12)18-10-14(15-8-16(22)11-17(23)9-15)3-2-13(18)4-5-20(21)6-7-20/h2-3,8-11H,4-7H2,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
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