Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM102950'   

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))	BDBM102950 (US8541427, 21) Show SMILES COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:22| Show InChI InChI=1S/C21H22F2N6O2/c1-28-18(30)14-9-29(20-25-16(11-3-4-11)15(23)17(26-20)31-2)10-21(14,27-19(28)24)12-5-7-13(22)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H2,24,27)/t14-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.80	-48.3	50	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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