Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM102963'   

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))	BDBM102963 (US8541427, 34) Show SMILES COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:22| Show InChI InChI=1S/C21H21F3N6O2/c1-29-18(31)13-8-30(20-26-16(10-3-4-10)15(24)17(27-20)32-2)9-21(13,28-19(29)25)12-7-11(22)5-6-14(12)23/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,25,28)/t13-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.60	-47.9	86	n/a	n/a	n/a	n/a	n/a	30
Merck, Sharp & Dohme, Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...				US Patent US8541427 (2013) BindingDB Entry DOI: 10.7270/Q26D5RN4
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