Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM342429'   

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))	BDBM342429 (N-(2-((4aS,6S,8aS)-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(Cl)cn2)cs1 |r,t:1| Show InChI InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.67E+4	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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