Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM342420'   

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))	BDBM342420 (N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...) Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:7| Show InChI InChI=1S/C18H19F2N5O4S/c1-9-4-10-6-27-17(21)25-18(10,8-28-9)15-24-13(7-30-15)23-14(26)12-3-2-11(5-22-12)29-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
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