Compile Data Set for Download or QSAR

Found 14929 hits Enz. Inhib. hit(s) with Target = 'beta-Secretase (BACE-1)'   

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))	BDBM136761 (US10231967, Example 20u | US8865911, 20u | US90001...) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-6.95,2.86,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)| Show InChI InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136761 (US10231967, Example 20u | US8865911, 20u | US90001...) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-6.95,2.86,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)| Show InChI InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	530	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155102 (US9000182, 11, isomer 2) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wU:20.28,wD:5.5,2.1,c:27,t:23,(7.21,-3.64,;6.44,-2.31,;4.9,-2.31,;4.13,-.98,;2.59,-.98,;1.82,-2.31,;.92,-3.56,;-.55,-3.08,;-1.88,-3.85,;-3.21,-3.08,;-3.21,-1.54,;-4.55,-.77,;-4.55,.77,;-5.88,1.54,;-5.88,3.08,;-4.55,3.85,;-7.21,3.85,;-7.21,2.31,;-1.88,-.77,;-.55,-1.54,;.92,-1.06,;.01,.18,;.92,1.43,;.15,2.76,;2.38,.95,;3.72,1.72,;2.38,-.59,;2.59,-3.64,;4.13,-3.64,)| Show InChI InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155104 (US9000182, 13, isomer 1) Show SMILES CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.2,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)| Show InChI InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(28-10-2-9-22)4-3-14(17)12-20(21)7-5-15(6-8-20)29-19(23)24/h3-4,11,15,19H,2,5-10,12H2,1H3,(H2,25,27)/t15-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155105 (US9000182, 13, isomer 2) Show SMILES CC1=N[C@@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.3,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)| Show InChI InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(28-10-2-9-22)4-3-14(17)12-20(21)7-5-15(6-8-20)29-19(23)24/h3-4,11,15,19H,2,5-10,12H2,1H3,(H2,25,27)/t15-,20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155106 (US9000182, 14) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-6.55,1.31,;-7.88,-1,;-1.21,-.23,;.12,-1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;3.26,-3.1,;4.8,-3.1,)| Show InChI InChI=1S/C21H28FN3O2/c1-13(22)12-27-17-5-4-15-11-20(8-6-16(26-3)7-9-20)21(18(15)10-17)24-14(2)19(23)25-21/h4-5,10,13,16H,6-9,11-12H2,1-3H3,(H2,23,25)/t13?,16-,20-,21?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155107 (US9000182, 15, isomer 1) Show SMILES CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.2,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)| Show InChI InChI=1S/C24H23ClN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11,20,30H,4-7,12H2,1H3,(H2,27,29)/t20-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155108 (US9000182, 15, isomer 2) Show SMILES CC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.3,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)| Show InChI InChI=1S/C24H23ClN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11,20,30H,4-7,12H2,1H3,(H2,27,29)/t20-,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	780	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155109 (US9000182, 16) Show SMILES CC(C)O[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:7.7,4.3,c:23,t:19,(3.78,-4.36,;4.87,-3.27,;6.36,-3.67,;4.47,-1.78,;2.99,-1.39,;2.59,.1,;1.1,.5,;.01,-.59,;-.89,-1.83,;-2.36,-1.36,;-3.69,-2.13,;-5.03,-1.36,;-5.03,.18,;-6.36,.95,;-3.69,.95,;-2.36,.18,;-.89,.66,;-2.14,1.56,;-1.66,3.03,;-2.43,4.36,;-.12,3.03,;.65,4.36,;.35,1.56,;.41,-2.08,;1.9,-2.47,)| Show InChI InChI=1S/C20H26BrN3O/c1-12(2)25-16-6-8-19(9-7-16)11-14-4-5-15(21)10-17(14)20(19)23-13(3)18(22)24-20/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,22,24)/t16-,19-,20?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155110 (US9000182, 17) Show SMILES CC(C)O[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:7.7,4.3,c:27,t:23,(6.45,-4.36,;7.54,-3.27,;9.03,-3.67,;7.14,-1.78,;5.65,-1.39,;5.25,.1,;3.77,.5,;2.68,-.59,;1.77,-1.83,;.31,-1.36,;-1.02,-2.13,;-2.36,-1.36,;-2.36,.18,;-3.69,.95,;-5.03,.18,;-6.36,.95,;-7.69,.18,;-9.03,.95,;-1.02,.95,;.31,.18,;1.77,.66,;.53,1.56,;1,3.03,;.23,4.36,;2.54,3.03,;3.31,4.36,;3.02,1.56,;3.08,-2.08,;4.56,-2.47,)| Show InChI InChI=1S/C23H32FN3O2/c1-15(2)29-18-7-9-22(10-8-18)14-17-5-6-19(28-12-4-11-24)13-20(17)23(22)26-16(3)21(25)27-23/h5-6,13,15,18H,4,7-12,14H2,1-3H3,(H2,25,27)/t18-,22-,23?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155111 (US9000182, 18) Show SMILES CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,2.3,c:24,t:20,(-7.88,-1,;-6.55,-.23,;-5.21,-1,;-5.21,-2.54,;-3.88,-.23,;-2.55,-1,;-2.55,-2.54,;-1.21,-3.31,;.12,-2.54,;1.59,-3.01,;2.49,-1.77,;3.26,-.43,;4.8,-.43,;5.57,-1.77,;4.8,-3.1,;3.26,-3.1,;7.11,-1.77,;7.88,-3.1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;.12,-1,;-1.21,-.23,)| Show InChI InChI=1S/C22H31N3O2/c1-5-14(2)27-18-7-6-16-13-21(10-8-17(26-4)9-11-21)22(19(16)12-18)24-15(3)20(23)25-22/h6-7,12,14,17H,5,8-11,13H2,1-4H3,(H2,23,25)/t14-,17-,21-,22?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155112 (US9000182, 19) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(O)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(5.88,-3.1,;5.11,-1.77,;3.57,-1.77,;2.8,-.43,;1.26,-.43,;.49,-1.77,;-.41,-3.01,;-1.88,-2.54,;-3.21,-3.31,;-4.55,-2.54,;-4.55,-1,;-5.88,-.23,;-3.21,-.23,;-1.88,-1,;-.41,-.52,;-1.32,.73,;-.41,1.97,;-1.18,3.31,;1.05,1.5,;2.38,2.27,;1.05,-.04,;1.26,-3.1,;2.8,-3.1,)| Show InChI InChI=1S/C18H23N3O2/c1-11-16(19)21-18(20-11)15-9-13(22)4-3-12(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14,22H,5-8,10H2,1-2H3,(H2,19,21)/t14-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136833 (US10231967, Example 73 | US8865911, 73 | US9000182...) Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.23,wD:14.14,17.18,c:28,t:24,(-8.83,-2.47,;-7.5,-1.7,;-6.16,-.93,;-4.83,-.16,;-4.83,1.38,;-3.49,2.15,;-2.16,1.38,;-2.16,-.16,;-3.49,-.93,;-.83,-.93,;-.83,-2.47,;.51,-3.24,;1.84,-2.47,;3.3,-2.95,;4.21,-1.7,;4.98,-.37,;6.52,-.37,;7.29,-1.7,;8.83,-1.7,;6.52,-3.04,;4.98,-3.04,;3.3,-.46,;2.06,.45,;2.53,1.91,;1.76,3.24,;4.07,1.91,;4.84,3.24,;4.55,.45,;1.84,-.93,;.51,-.16,)| Show InChI InChI=1S/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155114 (US9000182, 21, isomer 2) Show SMILES CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.29,wD:14.14,17.18,c:28,t:24,(-8.83,-2.54,;-7.5,-1.77,;-6.16,-1,;-4.83,-.23,;-4.83,1.31,;-3.49,2.08,;-2.16,1.31,;-2.16,-.23,;-3.49,-1,;-.83,-1,;-.83,-2.54,;.51,-3.31,;1.84,-2.54,;3.3,-3.01,;4.21,-1.77,;4.98,-.43,;6.52,-.43,;7.29,-1.77,;8.83,-1.77,;6.52,-3.1,;4.98,-3.1,;3.3,-.52,;2.4,.73,;3.3,1.97,;2.53,3.31,;4.77,1.5,;6.1,2.27,;4.77,-.04,;1.84,-1,;.51,-.23,)| Show InChI InChI=1S/C25H26N4O/c1-3-4-17-11-20(15-27-14-17)18-5-6-19-13-24(9-7-21(30)8-10-24)25(22(19)12-18)28-16(2)23(26)29-25/h5-6,11-12,14-15,21,30H,7-10,13H2,1-2H3,(H2,26,29)/t21-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.53E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155115 (US9000183, 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(C)c(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:22,t:18,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-.37,;1.26,-.37,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-5.88,-3.24,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-3.04,;2.8,-3.04,)| Show InChI InChI=1S/C19H24BrN3O/c1-11-8-13-10-18(6-4-14(24-3)5-7-18)19(15(13)9-16(11)20)22-12(2)17(21)23-19/h8-9,14H,4-7,10H2,1-3H3,(H2,21,23)/t14-,18-,19?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155117 (US9000183, 3) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)[N+]#[C-])CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-.39,;3.93,-3.26,;5.47,-3.26,)| Show InChI InChI=1S/C26H27ClN4O/c1-15-9-18-14-25(7-5-21(32-4)6-8-25)26(30-16(2)24(28)31-26)23(18)13-22(15)17-10-19(27)12-20(11-17)29-3/h9-13,21H,5-8,14H2,1-2,4H3,(H2,28,31)/t21-,25-,26?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155118 (US9000183, 4) Show SMILES COC1CCC2(Cc3cc(F)c(Br)cc3C22N=C(C)C(N)=N2)CC1 |c:22,t:18| Show InChI InChI=1S/C18H21BrFN3O/c1-10-16(21)23-18(22-10)13-8-14(19)15(20)7-11(13)9-17(18)5-3-12(24-2)4-6-17/h7-8,12H,3-6,9H2,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	516	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155119 (US9000183, 5) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-4.03,;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,-4.24,;-2.55,-3.47,;-3.88,-4.24,;-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,-1.93,;-6.55,.38,;-5.21,1.16,;-3.88,.38,;-5.21,2.7,;-5.21,4.24,;3.26,-4.03,;4.8,-4.03,)| Show InChI InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155120 (US9000183, 6 Isomer 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)| Show InChI InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155121 (US9000183, 6 Isomer 2) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,14.16,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)| Show InChI InChI=1S/C25H24ClFN4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.30E+3	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155122 (US9000183, 7) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-3.88,-3.24,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)| Show InChI InChI=1S/C23H24ClFN4O/c1-13-21(26)29-23(28-13)19-9-18(15-7-16(24)12-27-11-15)20(25)8-14(19)10-22(23)5-3-17(30-2)4-6-22/h7-9,11-12,17H,3-6,10H2,1-2H3,(H2,26,29)/t17-,22-,23?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155123 (US9000183, 8) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)| Show InChI InChI=1S/C25H24F2N4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155124 (US9000183, 9 Isomer 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)| Show InChI InChI=1S/C25H24F2N4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155125 (US9000183, 9 Isomer 2) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,14.16,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)| Show InChI InChI=1S/C25H24F2N4O/c1-14-23(29)31-25(30-14)21-11-20(16-7-15(13-28)8-18(26)9-16)22(27)10-17(21)12-24(25)5-3-19(32-2)4-6-24/h7-11,19H,3-6,12H2,1-2H3,(H2,29,31)/t19-,24-,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155126 (US9000183, 10) Show SMILES CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-3.21,-3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;3.93,-3.04,;5.47,-3.04,)| Show InChI InChI=1S/C21H27F2N3O2/c1-13-19(24)26-21(25-13)16-11-18(28-9-3-8-22)17(23)10-14(16)12-20(21)6-4-15(27-2)5-7-20/h10-11,15H,3-9,12H2,1-2H3,(H2,24,26)/t15-,20-,21?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	2.5	n/a
Astrazeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000183 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TQD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155127 (US9000184, 1) Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1CCC21CC1 |c:4,t:1| Show InChI InChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-8-11(16)3-2-10(12)4-5-14(15)6-7-14/h2-3,8H,4-7H2,1H3,(H2,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.87E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155128 (US9000184, 2) Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(c1)C#N |c:4,t:1| Show InChI InChI=1S/C22H19FN4/c1-13-20(25)27-22(26-13)19-11-16(17-8-14(12-24)9-18(23)10-17)3-2-15(19)4-5-21(22)6-7-21/h2-3,8-11H,4-7H2,1H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155129 (US9000184, 3) Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(F)c1 |c:4,t:1| Show InChI InChI=1S/C21H19F2N3/c1-12-19(24)26-21(25-12)18-10-14(15-8-16(22)11-17(23)9-15)3-2-13(18)4-5-20(21)6-7-20/h2-3,8-11H,4-7H2,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155130 (US9000184, 4) Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cncc(Cl)c1 |c:4,t:1| Show InChI InChI=1S/C20H19ClN4/c1-12-18(22)25-20(24-12)17-9-14(15-8-16(21)11-23-10-15)3-2-13(17)4-5-19(20)6-7-19/h2-3,8-11H,4-7H2,1H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155131 (US9000184, 5, isomer 1) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wD:5.8,2.1,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;2,1.17,;.67,.4,;.67,-1.14,;2,-1.91,;3.33,-1.14,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)| Show InChI InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18-,19?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	411	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155132 (US9000184, 5, isomer 2) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wU:2.1,wD:5.8,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;3.33,-1.14,;2,-1.91,;.67,-1.14,;.67,.4,;2,1.17,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)| Show InChI InChI=1S/C19H24BrN3O/c1-12-17(21)23-19(22-12)16-11-14(20)4-3-13(16)5-8-18(19)9-6-15(24-2)7-10-18/h3-4,11,15H,5-10H2,1-2H3,(H2,21,23)/t15-,18+,19?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.92E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155133 (US9000184, 6, isomer 1) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-1.19,;3.97,-1.19,;3.2,-2.52,;3.97,-3.86,;5.51,-3.86,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)| Show InChI InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26-,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155134 (US9000184, 6, isomer 2) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-3.86,;3.97,-3.86,;3.2,-2.52,;3.97,-1.19,;5.51,-1.19,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)| Show InChI InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26+,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	587	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155135 (US9000184, 7, isomer 1) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wD:5.8,2.1,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-.25,;3.23,-.25,;2.46,-1.58,;3.23,-2.91,;4.77,-2.91,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)| Show InChI InChI=1S/C24H27ClN4O/c1-15-22(26)29-24(28-15)21-12-17(18-11-19(25)14-27-13-18)4-3-16(21)5-8-23(24)9-6-20(30-2)7-10-23/h3-4,11-14,20H,5-10H2,1-2H3,(H2,26,29)/t20-,23-,24?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155136 (US9000184, 7, isomer 2) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wU:2.1,wD:5.8,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-2.91,;3.23,-2.91,;2.46,-1.58,;3.23,-.25,;4.77,-.25,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)| Show InChI InChI=1S/C24H27ClN4O/c1-15-22(26)29-24(28-15)21-12-17(18-11-19(25)14-27-13-18)4-3-16(21)5-8-23(24)9-6-20(30-2)7-10-23/h3-4,11-14,20H,5-10H2,1-2H3,(H2,26,29)/t20-,23+,24?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	333	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155137 (US9000184, 8, isomer 1) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wU:2.1,wD:5.8,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-2.91,;4.72,-2.91,;3.95,-1.58,;4.72,-.25,;6.26,-.25,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)| Show InChI InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26+,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	212	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155138 (US9000184, 8, isomer 2) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wD:5.8,2.1,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-.25,;4.72,-.25,;3.95,-1.58,;4.72,-2.91,;6.26,-2.91,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)| Show InChI InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26-,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155139 (US9000184, 9) Show SMILES CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1| Show InChI InChI=1S/C22H19ClN4/c1-13-20(25)27-22(26-13)19-11-16(17-8-14(12-24)9-18(23)10-17)3-2-15(19)4-5-21(22)6-7-21/h2-3,8-11H,4-7H2,1H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155140 (US9000184, 10, isomer 1) Show SMILES COC1CCC2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |c:24,t:20| Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155141 (US9000184, 10, isomer 2) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-.99,;3.97,-.99,;3.2,-2.32,;3.97,-3.66,;5.51,-3.66,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)| Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	392	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155142 (US9000184, 11, isomer 1) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-3.66,;3.97,-3.66,;3.2,-2.32,;3.97,-.99,;5.51,-.99,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)| Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25+,26?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155143 (US9000184, 11, isomer 2) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:16.19,wD:2.1,5.8,c:24,t:20,(8.7,-2.49,;7.93,-1.16,;6.39,-1.16,;5.62,.18,;4.08,.18,;3.31,-1.16,;4.08,-2.49,;5.62,-2.49,;3.31,-2.69,;1.97,-3.47,;.64,-2.7,;-.69,-3.47,;-2.03,-2.69,;-2.03,-1.15,;-.69,-.38,;.64,-1.15,;1.97,-.38,;.73,.52,;1.2,1.98,;.43,3.32,;2.74,1.98,;3.51,3.32,;3.22,.52,;-3.36,-.38,;-3.36,1.15,;-4.7,1.93,;-4.7,3.47,;-6.03,1.15,;-6.03,-.38,;-4.7,-1.15,;-7.36,-1.15,;-8.7,-1.93,)| Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155144 (US9000185, 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4(C)CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-7.32,1.17,;-5.78,1.17,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;-.02,3.2,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)| Show InChI InChI=1S/C23H31N3O2/c1-15-20(24)26-23(25-15)19-12-18(28-14-21(2)10-11-21)5-4-16(19)13-22(23)8-6-17(27-3)7-9-22/h4-5,12,17H,6-11,13-14H2,1-3H3,(H2,24,26)/t17-,22-,23?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155145 (US9000185, 2) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,t:25,(8.9,-3.04,;8.13,-1.7,;6.59,-1.7,;5.82,-.37,;4.28,-.37,;3.51,-1.7,;2.61,-2.95,;1.14,-2.47,;-.19,-3.24,;-1.53,-2.47,;-1.53,-.93,;-2.86,-.16,;-4.19,-.93,;-5.53,-.16,;-5.93,1.32,;-7.41,.92,;-8.9,.53,;-7.81,2.41,;-7.01,-.56,;-.19,-.16,;1.14,-.93,;2.61,-.46,;1.36,.45,;1.84,1.91,;1.07,3.24,;3.38,1.91,;4.15,3.24,;3.85,.45,;4.28,-3.04,;5.82,-3.04,)| Show InChI InChI=1S/C23H29F2N3O2/c1-14-20(26)28-23(27-14)19-9-18(30-13-15-10-22(24,25)11-15)4-3-16(19)12-21(23)7-5-17(29-2)6-8-21/h3-4,9,15,17H,5-8,10-13H2,1-2H3,(H2,26,28)/t17-,21-,23?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155146 (US9000185, 3) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)| Show InChI InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155147 (US9000185, 4, isomer 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:18.21,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)| Show InChI InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155148 (US9000185, 4, isomer 2) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wD:5.5,18.21,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)| Show InChI InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1-AA 460) was cl...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155149 (US9000185, 5) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:28,t:24,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.98,-.16,;-7.21,1.17,;-7.98,2.5,;-6.44,2.5,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)| Show InChI InChI=1S/C22H27F2N3O2/c1-13-19(25)27-22(26-13)18-9-17(29-12-15-11-21(15,23)24)4-3-14(18)10-20(22)7-5-16(28-2)6-8-20/h3-4,9,15-16H,5-8,10-12H2,1-2H3,(H2,25,27)/t15?,16-,20-,22?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136898 (US10231967, Example 126 | US8865911, 126 | US90001...) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)| Show InChI InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-12-19(28-14-16-4-3-5-16)7-6-17(20)13-22(23)10-8-18(27-2)9-11-22/h6-7,12,16,18H,3-5,8-11,13-14H2,1-2H3,(H2,24,26)/t18-,22-,23?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000185 (2015) BindingDB Entry DOI: 10.7270/Q2FB51QT
					More data for this Ligand-Target Pair

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