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Patent code US9273053

Compile Data Set for Download or QSAR
Found 82 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM116303
PNG
(US8637504, 81 | US9273053, 81 | US9650371, 81)
Show SMILES Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:26,30|
Show InChI InChI=1S/C21H17BrFN3O2S/c1-11-14-9-12(22)3-6-17(14)28-18(11)19(27)25-13-4-5-16(23)15(10-13)21(2)7-8-29-20(24)26-21/h3-10H,1-2H3,(H2,24,26)(H,25,27)/t21-/m0/s1
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US Patent
n/an/a 7n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116274
PNG
(US8637504, 16 | US9270353, 16 | US9650371, 16)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1
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n/an/a 10n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116304
PNG
(US8637504, 99 | US9273053, 99 | US9650371, 99)
Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
Show InChI InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1
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n/an/a 14n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116288
PNG
(US8637504, 51 | US9273053, 51 | US9650371, 51)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
Show InChI InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-6,8-9H,1,7H2,2-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1
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n/an/a 16n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116276
PNG
(US8637504, 21 | US9273053, 21)
Show SMILES [#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@]1([#6])[#6]\[#6](-[#16]-[#6](-[#7])=[#7]1)=[#6](/[#6])-[#6] |r,c:26|
Show InChI InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1
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n/an/a 19n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116292
PNG
(US8637504, 59 | US9273053, 59 | US9650371, 59)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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n/an/a 19n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116305
PNG
(US8637504, 101 | US9273053, 101 | US9650371, 101)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)cnc1Cl |r,c:7|
Show InChI InChI=1S/C18H14ClFN6OS/c1-9-5-18(2,26-17(22)28-9)12-4-11(8-24-15(12)19)25-16(27)14-13(20)3-10(6-21)7-23-14/h3-4,7-8H,1,5H2,2H3,(H2,22,26)(H,25,27)/t18-/m0/s1
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n/an/a 22n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116302
PNG
(US8637504, 79 | US9273053, 79 | US9650371, 79)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C16H13BrFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1
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n/an/a 24n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116306
PNG
(US8637504, 102 | US9273053, 102 | US9650371, 102)
Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(C)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
Show InChI InChI=1S/C18H20N6O2S/c1-10-6-18(3,24-17(19)27-10)13-5-12(7-20-11(13)2)23-16(25)14-8-22-15(26-4)9-21-14/h5,7-9H,1,6H2,2-4H3,(H2,19,24)(H,23,25)/t18-/m0/s1
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n/an/a 36n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116297
PNG
(US8637504, 70 | US9273053, 70 | US9650371, 70)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H15FN8OS/c1-18(4-5-29-17(20)26-18)12-6-11(2-3-13(12)19)25-16(28)14-7-23-15(8-22-14)27-10-21-9-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1
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n/an/a 36n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116279
PNG
(US8637504, 24 | US9273053, 24 | US9650371, 24)
Show SMILES CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:5,t:1|
Show InChI InChI=1S/C20H18FN5O2S/c1-4-7-28-17-10-23-16(9-24-17)18(27)25-13-5-6-15(21)14(8-13)20(3)12(2)11-29-19(22)26-20/h1,5-6,8-11H,7H2,2-3H3,(H2,22,26)(H,25,27)/t20-/m0/s1
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n/an/a 54n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116301
PNG
(US8637504, 76 | US9273053, 76 | US9650371, 76)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1
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n/an/a 62n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116307
PNG
(US8637504, 104 | US9273053, 104 | US9650371, 104)
Show SMILES COc1cnc(cn1)C(=O)Nc1cncc(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:26|
Show InChI InChI=1S/C17H18N6O2S/c1-10-5-17(2,23-16(18)26-10)11-4-12(7-19-6-11)22-15(24)13-8-21-14(25-3)9-20-13/h4,6-9H,1,5H2,2-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1
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n/an/a 63n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116280
PNG
(US8637504, 33 | US9273053, 33)
Show SMILES COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:25,29|
Show InChI InChI=1S/C20H21FN4O3S/c1-20(7-10-29-19(22)25-20)15-11-13(3-5-16(15)21)24-18(26)17-6-4-14(12-23-17)28-9-8-27-2/h3-7,10-12H,8-9H2,1-2H3,(H2,22,25)(H,24,26)/t20-/m0/s1
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n/an/a 73n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116289
PNG
(US8637504, 53 | US9273053, 53 | US9650371, 53)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:26|
Show InChI InChI=1S/C18H18FN5OS/c1-10-8-22-15(9-21-10)16(25)23-12-4-5-14(19)13(6-12)18(3)7-11(2)26-17(20)24-18/h4-6,8-9H,2,7H2,1,3H3,(H2,20,24)(H,23,25)/t18-/m0/s1
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n/an/a 76n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116286
PNG
(US8637504, 47 | US9273053, 47 | US9650371, 47)
Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2ccc(cn2)C#N)c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C18H14F3N5OS/c1-23-13-5-6-14(24-10-13)15(27)25-12-4-2-3-11(9-12)17(18(19,20)21)7-8-28-16(22)26-17/h2-6,9-10H,7-8H2,(H2,22,26)(H,25,27)
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n/an/a 91n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116275
PNG
(US8637504, 20 | US9273053, 20)
Show SMILES [#6]\[#6](-[#6])=[#6]-1/[#6][C@]([#6])([#7]=[#6](-[#7])-[#16]-1)c1cc(-[#7]-[#6](=O)-c2cnc(-[#6])cn2)ccc1F |r,t:7|
Show InChI InChI=1S/C20H22FN5OS/c1-11(2)17-8-20(4,26-19(22)28-17)14-7-13(5-6-15(14)21)25-18(27)16-10-23-12(3)9-24-16/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1
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n/an/a 95n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210082
PNG
(US9273053, 35)
Show SMILES Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)c1 |r,c:17,21|
Show InChI InChI=1S/C18H19FN4OS/c1-11-8-15(23(3)10-11)16(24)21-12-4-5-14(19)13(9-12)18(2)6-7-25-17(20)22-18/h4-10H,1-3H3,(H2,20,22)(H,21,24)/t18-/m0/s1
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n/an/a 96n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116283
PNG
(US8637504, 39 | US9273053, 39 | US9650371, 39)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)-c2ccc[nH]2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C21H18FN5OS/c1-21(8-10-29-20(23)27-21)15-11-14(5-6-16(15)22)26-19(28)18-7-4-13(12-25-18)17-3-2-9-24-17/h2-12,24H,1H3,(H2,23,27)(H,26,28)/t21-/m0/s1
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n/an/a 97n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116308
PNG
(US8637504, 106 | US9273053, 106 | US9650371, 106)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 |r,c:7|
Show InChI InChI=1S/C18H15ClF3N5OS/c1-9-5-17(2,27-16(23)29-9)10-3-12(8-24-6-10)26-15(28)14-13(19)4-11(7-25-14)18(20,21)22/h3-4,6-8H,1,5H2,2H3,(H2,23,27)(H,26,28)/t17-/m0/s1
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n/an/a 102n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116294
PNG
(US8637504, 61 | US9273053, 61 | US9650371, 61)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1
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n/an/a 169n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116291
PNG
(US8637504, 58 | US9273053, 58 | US9650371, 58)
Show SMILES COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:14|
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30)
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n/an/a 186n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116299
PNG
(US8637504, 73 | US9273053, 73 | US9650371, 73)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2nccn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1
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n/an/a 234n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116293
PNG
(US8637504, 60 | US9273053, 60 | US9650371, 60)
Show SMILES Cn1ccnc1COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:29,33|
Show InChI InChI=1S/C21H20FN7O2S/c1-21(5-8-32-20(23)28-21)14-9-13(3-4-15(14)22)27-19(30)16-10-26-18(11-25-16)31-12-17-24-6-7-29(17)2/h3-11H,12H2,1-2H3,(H2,23,28)(H,27,30)/t21-/m0/s1
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n/an/a 243n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116298
PNG
(US8637504, 72 | US9273053, 72 | US9650371, 72)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2ccnn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)25-18)12-8-11(2-3-13(12)19)24-16(28)14-9-22-15(10-21-14)27-6-5-23-26-27/h2-10H,1H3,(H2,20,25)(H,24,28)/t18-/m0/s1
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n/an/a 250n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116287
PNG
(US8637504, 48 | US9273053, 48 | US9650371, 48)
Show SMILES COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F |c:24|
Show InChI InChI=1S/C17H16F3N5O2S/c1-27-13-9-22-12(8-23-13)14(26)24-11-4-2-3-10(7-11)16(17(18,19)20)5-6-28-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26)
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n/an/a 273n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116296
PNG
(US8637504, 66 | US9273053, 66 | US9650371, 66)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(NS(C)(=O)=O)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H17FN6O3S2/c1-17(5-6-28-16(19)23-17)11-7-10(3-4-12(11)18)22-15(25)13-8-21-14(9-20-13)24-29(2,26)27/h3-9H,1-2H3,(H2,19,23)(H,21,24)(H,22,25)/t17-/m0/s1
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n/an/a 296n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116282
PNG
(US8637504, 38 | US9273053, 38 | US9650371, 38)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ncco2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C19H15FN6O2S/c1-19(4-7-29-18(21)26-19)12-8-11(2-3-13(12)20)25-16(27)14-9-24-15(10-23-14)17-22-5-6-28-17/h2-10H,1H3,(H2,21,26)(H,25,27)/t19-/m0/s1
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n/an/a 304n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116290
PNG
(US8637504, 56 | US9273053, 56 | US9650371, 56)
Show SMILES NC1=NC(CS1)(c1cccc(F)c1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |t:1|
Show InChI InChI=1S/C21H15Cl2FN4OS/c22-14-9-17(23)18(26-10-14)19(29)27-16-6-2-4-13(8-16)21(11-30-20(25)28-21)12-3-1-5-15(24)7-12/h1-10H,11H2,(H2,25,28)(H,27,29)
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n/an/a 352n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116295
PNG
(US8637504, 63 | US9273053, 63 | US9650371, 63)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cc3NCCn3n2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H17FN6OS/c1-17(4-7-26-16(19)22-17)11-8-10(2-3-12(11)18)21-15(25)13-9-14-20-5-6-24(14)23-13/h2-4,7-9,20H,5-6H2,1H3,(H2,19,22)(H,21,25)/t17-/m0/s1
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n/an/a 435n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116272
PNG
(US8637504, 2 | US9273053, 2 | US9650371, 2)
Show SMILES COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 |c:23|
Show InChI InChI=1S/C21H25N5O2S/c1-28-18-12-23-17(11-24-18)19(27)25-16-9-5-8-15(10-16)21(13-29-20(22)26-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,26)(H,25,27)
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n/an/a 514n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116277
PNG
(US8637504, 22 | US9273053, 22 | US9650371, 22)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C |r,c:26,t:22|
Show InChI InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1
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n/an/a 572n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116285
PNG
(US8637504, 46 | US9273053, 46 | US9650371, 46)
Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28)
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n/an/a 611n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116300
PNG
(US8637504, 75 | US9273053, 75 | US9650371, 75)
Show SMILES Cc1ncnn1-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:27,31|
Show InChI InChI=1S/C19H17FN8OS/c1-11-24-10-25-28(11)16-9-22-15(8-23-16)17(29)26-12-3-4-14(20)13(7-12)19(2)5-6-30-18(21)27-19/h3-10H,1-2H3,(H2,21,27)(H,26,29)/t19-/m0/s1
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n/an/a 697n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116273
PNG
(US8637504, 3 | US9273053, 3 | US9650371, 3)
Show SMILES NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 |t:1|
Show InChI InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27)
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n/an/a 966n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210110
PNG
(US9270353, 85)
Show SMILES C\C(CO)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:8|
Show InChI InChI=1S/C21H20FN5O2S/c1-12(11-28)18-8-21(2,27-20(24)30-18)15-7-14(4-5-16(15)22)26-19(29)17-6-3-13(9-23)10-25-17/h3-7,10,28H,8,11H2,1-2H3,(H2,24,27)(H,26,29)/b18-12-/t21-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210094
PNG
(US9270353, 55)
Show SMILES CC(C)(O)\C=C1\C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:9|
Show InChI InChI=1S/C22H22FN5O2S/c1-21(2,30)9-15-10-22(3,28-20(25)31-15)16-8-14(5-6-17(16)23)27-19(29)18-7-4-13(11-24)12-26-18/h4-9,12,30H,10H2,1-3H3,(H2,25,28)(H,27,29)/b15-9-/t22-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210091
PNG
(US9270353, 50)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|
Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210122
PNG
(US9270353, 97)
Show SMILES C\C(CN1CCC(F)(F)C1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:15|
Show InChI InChI=1S/C25H25F3N6OS/c1-15(13-34-8-7-25(27,28)14-34)21-10-24(2,33-23(30)36-21)18-9-17(4-5-19(18)26)32-22(35)20-6-3-16(11-29)12-31-20/h3-6,9,12H,7-8,10,13-14H2,1-2H3,(H2,30,33)(H,32,35)/b21-15-/t24-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210105
PNG
(US9270353, 78)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H13FN6OS/c1-17(4-5-26-16(20)24-17)12-6-11(2-3-13(12)18)23-15(25)14-21-8-10(7-19)9-22-14/h2-6,8-9H,1H3,(H2,20,24)(H,23,25)/t17-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210093
PNG
(US9270353, 54)
Show SMILES C[C@]1(C\C(SC(N)=N1)=C\CO)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
Show InChI InChI=1S/C20H18FN5O2S/c1-20(9-14(6-7-27)29-19(23)26-20)15-8-13(3-4-16(15)21)25-18(28)17-5-2-12(10-22)11-24-17/h2-6,8,11,27H,7,9H2,1H3,(H2,23,26)(H,25,28)/b14-6-/t20-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210090
PNG
(US9270353, 49)
Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C19H16F3N5O2S/c1-2-7-29-15-11-24-14(10-25-15)16(28)26-13-5-3-4-12(9-13)18(19(20,21)22)6-8-30-17(23)27-18/h1,3-5,9-11H,6-8H2,(H2,23,27)(H,26,28)
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210075
PNG
(US9270353, 27)
Show SMILES CC1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1,5|
Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-8,10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210073
PNG
(US9270353, 25)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(C)SC(N)=N1 |r,c:27,t:22|
Show InChI InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116274
PNG
(US8637504, 16 | US9270353, 16 | US9650371, 16)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H14ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210067
PNG
(US9270353, 13)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:22,26|
Show InChI InChI=1S/C17H16FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210091
PNG
(US9270353, 50)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|
Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210069
PNG
(US9270353, 15)
Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:20,24|
Show InChI InChI=1S/C16H15FN4O2S/c1-9-19-13(8-23-9)14(22)20-10-3-4-12(17)11(7-10)16(2)5-6-24-15(18)21-16/h3-8H,1-2H3,(H2,18,21)(H,20,22)/t16-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210059
PNG
(US9270353, 5)
Show SMILES COc1ccc(cc1)C1(CSC(N)=N1)c1cccc(NC(=O)c2cnc(O)cn2)c1 |c:13|
Show InChI InChI=1S/C21H19N5O3S/c1-29-16-7-5-13(6-8-16)21(12-30-20(22)26-21)14-3-2-4-15(9-14)25-19(28)17-10-24-18(27)11-23-17/h2-11H,12H2,1H3,(H2,22,26)(H,24,27)(H,25,28)
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210126
PNG
(US9270353, 105)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:7|
Show InChI InChI=1S/C18H16N6OS/c1-11-6-18(2,24-17(20)26-11)13-5-14(10-21-9-13)23-16(25)15-4-3-12(7-19)8-22-15/h3-5,8-10H,1,6H2,2H3,(H2,20,24)(H,23,25)/t18-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210119
PNG
(US9270353, 94)
Show SMILES C\C(C(F)F)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:9|
Show InChI InChI=1S/C21H18F3N5OS/c1-11(18(23)24)17-8-21(2,29-20(26)31-17)14-7-13(4-5-15(14)22)28-19(30)16-6-3-12(9-25)10-27-16/h3-7,10,18H,8H2,1-2H3,(H2,26,29)(H,28,30)/b17-11-/t21-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210106
PNG
(US9270353, 80)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C16H13ClFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210103
PNG
(US9270353, 74)
Show SMILES Cc1ncn(n1)-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:27,31|
Show InChI InChI=1S/C19H17FN8OS/c1-11-24-10-28(27-11)16-9-22-15(8-23-16)17(29)25-12-3-4-14(20)13(7-12)19(2)5-6-30-18(21)26-19/h3-10H,1-2H3,(H2,21,26)(H,25,29)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210092
PNG
(US9270353, 52)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|
Show InChI InChI=1S/C18H15Cl2FN4OS/c1-9-7-18(2,25-17(22)27-9)12-6-11(3-4-14(12)21)24-16(26)15-13(20)5-10(19)8-23-15/h3-6,8H,1,7H2,2H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210084
PNG
(US9270353, 37)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)c(N)n1 |r,c:19,23|
Show InChI InChI=1S/C17H17FN6O2S/c1-17(5-6-27-16(20)24-17)10-7-9(3-4-11(10)18)22-15(25)13-14(19)23-12(26-2)8-21-13/h3-8H,1-2H3,(H2,19,23)(H2,20,24)(H,22,25)/t17-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210926
PNG
(US9270353, 30)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#C)c1 |r,c:2,6|
Show InChI InChI=1S/C19H16N4OS/c1-3-13-7-8-16(21-12-13)17(24)22-15-6-4-5-14(11-15)19(2)9-10-25-18(20)23-19/h1,4-12H,2H3,(H2,20,23)(H,22,24)/t19-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210077
PNG
(US9270353, 29)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 |r,c:2,6|
Show InChI InChI=1S/C19H17N5O2S/c1-3-8-26-16-12-21-15(11-22-16)17(25)23-14-6-4-5-13(10-14)19(2)7-9-27-18(20)24-19/h1,4-7,9-12H,8H2,2H3,(H2,20,24)(H,23,25)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210072
PNG
(US9270353, 19)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)c1ccccc1 |r,c:21,25|
Show InChI InChI=1S/C23H20FN5OS/c1-14-12-27-19(13-26-14)21(30)28-16-8-9-18(24)17(10-16)23(2)11-20(31-22(25)29-23)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,25,29)(H,28,30)/t23-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210125
PNG
(US9270353, 103)
Show SMILES Cc1ncc(NC(=O)c2ccc(cn2)C#N)cc1[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
Show InChI InChI=1S/C19H18N6OS/c1-11-7-19(3,25-18(21)27-11)15-6-14(10-22-12(15)2)24-17(26)16-5-4-13(8-20)9-23-16/h4-6,9-10H,1,7H2,2-3H3,(H2,21,25)(H,24,26)/t19-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210120
PNG
(US9270353, 95)
Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1Cl |r,c:7|
Show InChI InChI=1S/C18H15ClN6OS/c1-10-6-18(2,25-17(21)27-10)13-5-12(9-23-15(13)19)24-16(26)14-4-3-11(7-20)8-22-14/h3-5,8-9H,1,6H2,2H3,(H2,21,25)(H,24,26)/t18-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210925
PNG
(US9270353, 26)
Show SMILES CC1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(cn2)C#N)ccc1F |r,t:1,5|
Show InChI InChI=1S/C18H15FN6OS/c1-10-6-18(2,25-17(21)27-10)13-5-11(3-4-14(13)19)24-16(26)15-9-22-12(7-20)8-23-15/h3-6,8-9H,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210090
PNG
(US9270353, 49)
Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C19H16F3N5O2S/c1-2-7-29-15-11-24-14(10-25-15)16(28)26-13-5-3-4-12(9-13)18(19(20,21)22)6-8-30-17(23)27-18/h1,3-5,9-11H,6-8H2,(H2,23,27)(H,26,28)
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210109
PNG
(US9270353, 84)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H13F2N5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-13(12)19)24-16(26)15-14(20)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210081
PNG
(US9270353, 34)
Show SMILES COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:25,29|
Show InChI InChI=1S/C19H20FN5O3S/c1-19(5-8-29-18(21)25-19)13-9-12(3-4-14(13)20)24-17(26)15-10-23-16(11-22-15)28-7-6-27-2/h3-5,8-11H,6-7H2,1-2H3,(H2,21,25)(H,24,26)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210080
PNG
(US9270353, 32)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(OCCF)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C19H18F2N4O2S/c1-19(6-9-28-18(22)25-19)14-10-12(2-4-15(14)21)24-17(26)16-5-3-13(11-23-16)27-8-7-20/h2-6,9-11H,7-8H2,1H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210070
PNG
(US9270353, 17)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210121
PNG
(US9270353, 96)
Show SMILES C\C(CN1CCOCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:14|
Show InChI InChI=1S/C25H27FN6O2S/c1-16(15-32-7-9-34-10-8-32)22-12-25(2,31-24(28)35-22)19-11-18(4-5-20(19)26)30-23(33)21-6-3-17(13-27)14-29-21/h3-6,11,14H,7-10,12,15H2,1-2H3,(H2,28,31)(H,30,33)/b22-16-/t25-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210095
PNG
(US9270353, 57)
Show SMILES NC1=NC(CS1)(c1ccc(OC(F)(F)F)cc1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |t:1|
Show InChI InChI=1S/C22H15Cl2F3N4O2S/c23-14-9-17(24)18(29-10-14)19(32)30-15-3-1-2-13(8-15)21(11-34-20(28)31-21)12-4-6-16(7-5-12)33-22(25,26)27/h1-10H,11H2,(H2,28,31)(H,30,32)
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210083
PNG
(US9270353, 36)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccc[nH]2)ccc1F |r,c:2,6|
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210079
PNG
(US9270353, 31)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C18H17F2N5O2S/c1-18(4-7-28-17(21)25-18)12-8-11(2-3-13(12)20)24-16(26)14-9-23-15(10-22-14)27-6-5-19/h2-4,7-10H,5-6H2,1H3,(H2,21,25)(H,24,26)/t18-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210076
PNG
(US9270353, 28)
Show SMILES COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)C=CSC(N)=N1 |r,c:21,25|
Show InChI InChI=1S/C17H17N5O2S/c1-17(6-7-25-16(18)22-17)11-4-3-5-12(8-11)21-15(23)13-9-20-14(24-2)10-19-13/h3-10H,1-2H3,(H2,18,22)(H,21,23)/t17-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210071
PNG
(US9270353, 18)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)c1ccccc1 |r,c:22,26|
Show InChI InChI=1S/C23H20FN5O2S/c1-23(11-19(32-22(25)29-23)14-6-4-3-5-7-14)16-10-15(8-9-17(16)24)28-21(30)18-12-27-20(31-2)13-26-18/h3-13H,1-2H3,(H2,25,29)(H,28,30)/t23-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210058
PNG
(US9270353, 4)
Show SMILES COc1ccc(cc1)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:13|
Show InChI InChI=1S/C22H18Cl2N4O2S/c1-30-17-7-5-13(6-8-17)22(12-31-21(25)28-22)14-3-2-4-16(9-14)27-20(29)19-18(24)10-15(23)11-26-19/h2-11H,12H2,1H3,(H2,25,28)(H,27,29)
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210924
PNG
(US9270353, 1)
Show SMILES COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 |c:26|
Show InChI InChI=1S/C23H29N5O3S/c1-30-10-11-31-20-14-25-19(13-26-20)21(29)27-18-9-5-8-17(12-18)23(15-32-22(24)28-23)16-6-3-2-4-7-16/h5,8-9,12-14,16H,2-4,6-7,10-11,15H2,1H3,(H2,24,28)(H,27,29)
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210124
PNG
(US9270353, 100)
Show SMILES CN(C)C\C(C)=C1\C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:10|
Show InChI InChI=1S/C23H25FN6OS/c1-14(13-30(3)4)20-10-23(2,29-22(26)32-20)17-9-16(6-7-18(17)24)28-21(31)19-8-5-15(11-25)12-27-19/h5-9,12H,10,13H2,1-4H3,(H2,26,29)(H,28,31)/b20-14-/t23-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210123
PNG
(US9270353, 98)
Show SMILES C\C(CN1CCCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:13|
Show InChI InChI=1S/C25H27FN6OS/c1-16(15-32-9-3-4-10-32)22-12-25(2,31-24(28)34-22)19-11-18(6-7-20(19)26)30-23(33)21-8-5-17(13-27)14-29-21/h5-8,11,14H,3-4,9-10,12,15H2,1-2H3,(H2,28,31)(H,30,33)/b22-16-/t25-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210104
PNG
(US9270353, 77)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,c:2,6|
Show InChI InChI=1S/C17H13F3N4OS/c1-17(4-5-26-16(21)24-17)11-7-10(2-3-12(11)19)23-15(25)14-13(20)6-9(18)8-22-14/h2-8H,1H3,(H2,21,24)(H,23,25)/t17-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210089
PNG
(US9270353, 45)
Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1)C(F)(F)F |t:1|
Show InChI InChI=1S/C17H13Cl2F3N4OS/c18-10-7-12(19)13(24-8-10)14(27)25-11-3-1-2-9(6-11)16(17(20,21)22)4-5-28-15(23)26-16/h1-3,6-8H,4-5H2,(H2,23,26)(H,25,27)
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210068
PNG
(US9270353, 14)
Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:2,6|
Show InChI InChI=1S/C19H16FN5O2S/c1-3-7-27-16-11-22-15(10-23-16)17(26)24-12-4-5-14(20)13(9-12)19(2)6-8-28-18(21)25-19/h1,4-6,8-11H,7H2,2H3,(H2,21,25)(H,24,26)/t19-/m0/s1
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Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM210066
PNG
(US9270353, 12)
Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:21,25|
Show InChI InChI=1S/C17H16FN5OS/c1-10-8-21-14(9-20-10)15(24)22-11-3-4-13(18)12(7-11)17(2)5-6-25-16(19)23-17/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1
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n/an/a<1.00E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116284
PNG
(US8637504, 44 | US9273053, 44 | US9650371, 44)
Show SMILES Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F |c:23|
Show InChI InChI=1S/C17H16F3N5OS/c1-10-8-23-13(9-22-10)14(26)24-12-4-2-3-11(7-12)16(17(18,19)20)5-6-27-15(21)25-16/h2-4,7-9H,5-6H2,1H3,(H2,21,25)(H,24,26)
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n/an/a 2.13E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM116278
PNG
(US8637504, 23 | US9273053, 23 | US9650371, 23)
Show SMILES CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r,c:5,t:1|
Show InChI InChI=1S/C18H18FN5OS/c1-10-9-26-17(20)24-18(10,3)13-6-12(4-5-14(13)19)23-16(25)15-8-21-11(2)7-22-15/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1
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n/an/a 5.28E+3n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...

US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%