Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM342449'   

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))	BDBM342449 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1| Show InChI InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-3-10-6-29-16(23)27-17(10,8-30-12)15-26-13(7-31-15)25-14(28)11-2-1-9(4-22)5-24-11/h1-2,5,7,10,12H,3,6,8H2,(H2,23,27)(H,25,28)/t10-,12+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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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