Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM136854'   

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))	BDBM136854 (US10231967, Example 91 | US8865911, 91 | US9918985...) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-7.88,-3.46,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)| Show InChI InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26?	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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					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 ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2RF5X91
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM136854 (US10231967, Example 91 | US8865911, 91 | US9918985...) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-7.88,-3.46,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)| Show InChI InChI=1S/C26H28N4O2/c1-16-24(28)30-26(29-16)23-13-18(20-10-17(15-27)11-22(12-20)32-3)4-5-19(23)14-25(26)8-6-21(31-2)7-9-25/h4-5,10-13,21H,6-9,14H2,1-3H3,(H2,28,30)/t21-,25-,26?	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2RF5X91
					More data for this Ligand-Target Pair