Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM102971'   

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))	BDBM102971 (US8541427, 42) Show SMILES COc1nc(nc(c1F)C(C)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22| Show InChI InChI=1S/C20H19F5N6O2/c1-19(24,25)14-13(23)15(33-3)28-18(27-14)31-7-11-16(32)30(2)17(26)29-20(11,8-31)10-5-4-9(21)6-12(10)22/h4-6,11H,7-8H2,1-3H3,(H2,26,29)/t11-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-46.2	n/a	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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