Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM155116'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM155116 (US9000183, 2) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.21,-4.8,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5.01,;-3.21,-4.24,;-4.55,-5.01,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.39,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5.01,;2.59,-4.8,;4.13,-4.8,)| Show InChI InChI=1S/C27H30N4O/c1-5-6-19-12-21(16-29-15-19)23-13-24-20(11-17(23)2)14-26(9-7-22(32-4)8-10-26)27(24)30-18(3)25(28)31-27/h11-13,15-16,22H,7-10,14H2,1-4H3,(H2,28,31)/t22-,26-,27?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	37
Astrazeneca AB US Patent					Assay Description SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
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