Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM342447'   

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))	BDBM342447 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES Cc1nc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F |r,c:31| Show InChI InChI=1S/C18H17F5N6O4S/c1-7-12(25-3-11(26-7)33-15(19)20)13(30)27-10-5-34-14(28-10)17-6-32-9(18(21,22)23)2-8(17)4-31-16(24)29-17/h3,5,8-9,15H,2,4,6H2,1H3,(H2,24,29)(H,27,30)/t8-,9+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
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