Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM342442'   

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))	BDBM342442 (N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...) Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,t:1| Show InChI InChI=1S/C19H20F2N6O4S/c20-16(21)31-13-6-23-11(5-24-13)14(28)25-12-8-32-15(26-12)19-9-30-18(2-1-3-18)4-10(19)7-29-17(22)27-19/h5-6,8,10,16H,1-4,7,9H2,(H2,22,27)(H,25,28)/t10-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.26E+3	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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