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Patent code US9233981

Compile Data Set for Download or QSAR
Found 33 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))		BDBM202047
PNG
(US9233981, 8)
Show SMILES Cc1cc(ccc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Show InChI InChI=1S/C20H19F3N2OS/c1-11-6-12(2-5-16(11)22)18-7-13-9-27-19(24)25-20(13,10-26-18)15-4-3-14(21)8-17(15)23/h2-6,8,13,18H,7,9-10H2,1H3,(H2,24,25)/t13-,18+,20-/m0/s1
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n/an/a 6n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202064
PNG
(US9233981, 26)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2OCCc2c1)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C21H20F2N2O2S/c22-15-2-3-16(17(23)9-15)21-11-27-19(8-14(21)10-28-20(24)25-21)12-1-4-18-13(7-12)5-6-26-18/h1-4,7,9,14,19H,5-6,8,10-11H2,(H2,24,25)/t14-,19+,21-/m0/s1
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n/an/a 6n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202044
PNG
(US9233981, 5)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)c(F)c1)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C19H16F4N2OS/c20-12-2-3-13(15(22)7-12)19-9-26-17(6-11(19)8-27-18(24)25-19)10-1-4-14(21)16(23)5-10/h1-5,7,11,17H,6,8-9H2,(H2,24,25)/t11-,17+,19-/m0/s1
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n/an/a 10n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202061
PNG
(US9233981, 23)
Show SMILES CCOc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C21H22F2N2O2S/c1-2-26-16-6-3-13(4-7-16)19-9-14-11-28-20(24)25-21(14,12-27-19)17-8-5-15(22)10-18(17)23/h3-8,10,14,19H,2,9,11-12H2,1H3,(H2,24,25)/t14-,19+,21-/m0/s1
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n/an/a 11n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202071
PNG
(US9233981, 33)
Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ccc(cc1)C#N)c1ccc(F)cc1F |c:4|
Show InChI InChI=1S/C21H19F2N3OS/c1-12-17-9-19(14-4-2-13(10-24)3-5-14)27-11-21(17,26-20(25)28-12)16-7-6-15(22)8-18(16)23/h2-8,12,17,19H,9,11H2,1H3,(H2,25,26)/t12-,17+,19-,21-/m1/s1
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n/an/a 11n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202048
PNG
(US9233981, 9)
Show SMILES Cc1ccc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Show InChI InChI=1S/C20H19F3N2OS/c1-11-2-3-12(6-16(11)22)18-7-13-9-27-19(24)25-20(13,10-26-18)15-5-4-14(21)8-17(15)23/h2-6,8,13,18H,7,9-10H2,1H3,(H2,24,25)/t13-,18+,20-/m0/s1
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n/an/a 13n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202040
PNG
(US9233981, 1)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cc1)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C19H17F3N2OS/c20-13-3-1-11(2-4-13)17-7-12-9-26-18(23)24-19(12,10-25-17)15-6-5-14(21)8-16(15)22/h1-6,8,12,17H,7,9-10H2,(H2,23,24)/t12-,17+,19-/m0/s1
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n/an/a 14n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202072
PNG
(US9233981, 34)
Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cccc(c1)C#N)c1ccc(F)cc1F |c:4|
Show InChI InChI=1S/C21H19F2N3OS/c1-12-17-9-19(14-4-2-3-13(7-14)10-24)27-11-21(17,26-20(25)28-12)16-6-5-15(22)8-18(16)23/h2-8,12,17,19H,9,11H2,1H3,(H2,25,26)/t12-,17+,19-,21-/m1/s1
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n/an/a 14n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202051
PNG
(US9233981, 12)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(Cl)cc1)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C19H17ClF2N2OS/c20-13-3-1-11(2-4-13)17-7-12-9-26-18(23)24-19(12,10-25-17)15-6-5-14(21)8-16(15)22/h1-6,8,12,17H,7,9-10H2,(H2,23,24)/t12-,17+,19-/m0/s1
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n/an/a 15n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202070
PNG
(US9233981, 32)
Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ccc(F)cc1)c1ccc(F)cc1F |c:4|
Show InChI InChI=1S/C20H19F3N2OS/c1-11-16-9-18(12-2-4-13(21)5-3-12)26-10-20(16,25-19(24)27-11)15-7-6-14(22)8-17(15)23/h2-8,11,16,18H,9-10H2,1H3,(H2,24,25)/t11-,16+,18-,20-/m1/s1
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n/an/a 15n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202049
PNG
(US9233981, 10)
Show SMILES Cc1cc(F)cc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Show InChI InChI=1S/C20H19F3N2OS/c1-11-4-12(6-15(22)5-11)18-7-13-9-27-19(24)25-20(13,10-26-18)16-3-2-14(21)8-17(16)23/h2-6,8,13,18H,7,9-10H2,1H3,(H2,24,25)/t13-,18+,20-/m0/s1
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n/an/a 16n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202065
PNG
(US9233981, 27)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2OCOc2c1)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C20H18F2N2O3S/c21-13-2-3-14(15(22)7-13)20-9-25-17(6-12(20)8-28-19(23)24-20)11-1-4-16-18(5-11)27-10-26-16/h1-5,7,12,17H,6,8-10H2,(H2,23,24)/t12-,17+,20-/m0/s1
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n/an/a 19n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202053
PNG
(US9233981, 15)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1OC(F)(F)F)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C20H17F5N2O2S/c21-12-5-6-14(15(22)8-12)19-10-28-17(7-11(19)9-30-18(26)27-19)13-3-1-2-4-16(13)29-20(23,24)25/h1-6,8,11,17H,7,9-10H2,(H2,26,27)/t11-,17+,19-/m0/s1
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n/an/a 21n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202050
PNG
(US9233981, 11)
Show SMILES Cc1ccc(F)c(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Show InChI InChI=1S/C20H19F3N2OS/c1-11-2-5-16(22)14(6-11)18-7-12-9-27-19(24)25-20(12,10-26-18)15-4-3-13(21)8-17(15)23/h2-6,8,12,18H,7,9-10H2,1H3,(H2,24,25)/t12-,18+,20-/m0/s1
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n/an/a 21n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202062
PNG
(US9233981, 24 | US9233981, 25)
Show SMILES COCc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C21H22F2N2O2S/c1-26-10-13-2-4-14(5-3-13)19-8-15-11-28-20(24)25-21(15,12-27-19)17-7-6-16(22)9-18(17)23/h2-7,9,15,19H,8,10-12H2,1H3,(H2,24,25)/t15-,19+,21-/m0/s1
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n/an/a 22n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202041
PNG
(US9233981, 2)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cccc(F)c1)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C19H17F3N2OS/c20-13-3-1-2-11(6-13)17-7-12-9-26-18(23)24-19(12,10-25-17)15-5-4-14(21)8-16(15)22/h1-6,8,12,17H,7,9-10H2,(H2,23,24)/t12-,17+,19-/m0/s1
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n/an/a 22n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202045
PNG
(US9233981, 6)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Show InChI InChI=1S/C20H20F2N2OS/c1-12-2-4-13(5-3-12)18-8-14-10-26-19(23)24-20(14,11-25-18)16-7-6-15(21)9-17(16)22/h2-7,9,14,18H,8,10-11H2,1H3,(H2,23,24)/t14-,18+,20-/m0/s1
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n/an/a 24n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202069
PNG
(US9233981, 31)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(cc1)C(F)F)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C20H18F4N2OS/c21-14-5-6-15(16(22)8-14)20-10-27-17(7-13(20)9-28-19(25)26-20)11-1-3-12(4-2-11)18(23)24/h1-6,8,13,17-18H,7,9-10H2,(H2,25,26)/t13-,17+,20-/m0/s1
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n/an/a 28n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202054
PNG
(US9233981, 16)
Show SMILES COc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Show InChI InChI=1S/C20H20F2N2O2S/c1-25-15-5-2-12(3-6-15)18-8-13-10-27-19(23)24-20(13,11-26-18)16-7-4-14(21)9-17(16)22/h2-7,9,13,18H,8,10-11H2,1H3,(H2,23,24)/t13-,18+,20-/m0/s1
PDB
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n/an/a 29n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202043
PNG
(US9233981, 4)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cc1F)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C19H16F4N2OS/c20-11-1-3-13(15(22)6-11)17-5-10-8-27-18(24)25-19(10,9-26-17)14-4-2-12(21)7-16(14)23/h1-4,6-7,10,17H,5,8-9H2,(H2,24,25)/t10-,17+,19-/m0/s1
PDB
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n/an/a 39n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202068
PNG
(US9233981, 30)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(cc1)C#N)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C20H17F2N3OS/c21-15-5-6-16(17(22)8-15)20-11-26-18(7-14(20)10-27-19(24)25-20)13-3-1-12(9-23)2-4-13/h1-6,8,14,18H,7,10-11H2,(H2,24,25)/t14-,18+,20-/m0/s1
PDB
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n/an/a 42n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202057
PNG
(US9233981, 19)
Show SMILES COc1ccc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C20H19F3N2O2S/c1-26-17-5-2-11(6-16(17)23)18-7-12-9-28-19(24)25-20(12,10-27-18)14-4-3-13(21)8-15(14)22/h2-6,8,12,18H,7,9-10H2,1H3,(H2,24,25)/t12-,18+,20-/m0/s1
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n/an/a 44n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202058
PNG
(US9233981, 20)
Show SMILES COc1ccc([C@H]2C[C@H]3CSC(N)=N[C@]3(CO2)c2ccc(F)cc2F)c(F)c1 |c:12|
Show InChI InChI=1S/C20H19F3N2O2S/c1-26-13-3-4-14(16(22)8-13)18-6-11-9-28-19(24)25-20(11,10-27-18)15-5-2-12(21)7-17(15)23/h2-5,7-8,11,18H,6,9-10H2,1H3,(H2,24,25)/t11-,18+,20-/m0/s1
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n/an/a 83n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202042
PNG
(US9233981, 3)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1F)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C19H17F3N2OS/c20-12-5-6-14(16(22)8-12)19-10-25-17(13-3-1-2-4-15(13)21)7-11(19)9-26-18(23)24-19/h1-6,8,11,17H,7,9-10H2,(H2,23,24)/t11-,17+,19-/m0/s1
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n/an/a 86n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202052
PNG
(US9233981, 13)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1C(F)(F)F)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C20H17F5N2OS/c21-12-5-6-15(16(22)8-12)19-10-28-17(7-11(19)9-29-18(26)27-19)13-3-1-2-4-14(13)20(23,24)25/h1-6,8,11,17H,7,9-10H2,(H2,26,27)/t11-,17+,19-/m0/s1
PDB
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n/an/a 97n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202067
PNG
(US9233981, 29)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cccc(c1)C#N)c1ccc(F)cc1F |t:1|
Show InChI InChI=1S/C20H17F2N3OS/c21-15-4-5-16(17(22)8-15)20-11-26-18(7-14(20)10-27-19(24)25-20)13-3-1-2-12(6-13)9-23/h1-6,8,14,18H,7,10-11H2,(H2,24,25)/t14-,18+,20-/m0/s1
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n/an/a 99n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202062
PNG
(US9233981, 24 | US9233981, 25)
Show SMILES COCc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C21H22F2N2O2S/c1-26-10-13-2-4-14(5-3-13)19-8-15-11-28-20(24)25-21(15,12-27-19)17-7-6-16(22)9-18(17)23/h2-7,9,15,19H,8,10-12H2,1H3,(H2,24,25)/t15-,19+,21-/m0/s1
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n/an/a 161n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202066
PNG
(US9233981, 28)
Show SMILES COC(C)c1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:17|
Show InChI InChI=1S/C22H24F2N2O2S/c1-13(27-2)14-3-5-15(6-4-14)20-9-16-11-29-21(25)26-22(16,12-28-20)18-8-7-17(23)10-19(18)24/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H2,25,26)/t13?,16-,20+,22-/m0/s1
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n/an/a 210n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202056
PNG
(US9233981, 18)
Show SMILES COc1cc(ccc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C20H19F3N2O2S/c1-26-18-6-11(2-5-15(18)22)17-7-12-9-28-19(24)25-20(12,10-27-17)14-4-3-13(21)8-16(14)23/h2-6,8,12,17H,7,9-10H2,1H3,(H2,24,25)/t12-,17+,20-/m0/s1
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n/an/a 214n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202059
PNG
(US9233981, 21)
Show SMILES COc1cc(F)cc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C20H19F3N2O2S/c1-26-15-5-11(4-14(22)7-15)18-6-12-9-28-19(24)25-20(12,10-27-18)16-3-2-13(21)8-17(16)23/h2-5,7-8,12,18H,6,9-10H2,1H3,(H2,24,25)/t12-,18+,20-/m0/s1
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n/an/a 335n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202060
PNG
(US9233981, 22)
Show SMILES COc1ccc(F)c(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Show InChI InChI=1S/C20H19F3N2O2S/c1-26-13-3-5-16(22)14(8-13)18-6-11-9-28-19(24)25-20(11,10-27-18)15-4-2-12(21)7-17(15)23/h2-5,7-8,11,18H,6,9-10H2,1H3,(H2,24,25)/t11-,18+,20-/m0/s1
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n/an/a 397n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202046
PNG
(US9233981, 7)
Show SMILES Cc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Show InChI InChI=1S/C20H20F2N2OS/c1-12-4-2-3-5-15(12)18-8-13-10-26-19(23)24-20(13,11-25-18)16-7-6-14(21)9-17(16)22/h2-7,9,13,18H,8,10-11H2,1H3,(H2,23,24)/t13-,18+,20-/m0/s1
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n/an/a 970n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202055
PNG
(US9233981, 17)
Show SMILES COc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Show InChI InChI=1S/C20H20F2N2O2S/c1-25-17-5-3-2-4-14(17)18-8-12-10-27-19(23)24-20(12,11-26-18)15-7-6-13(21)9-16(15)22/h2-7,9,12,18H,8,10-11H2,1H3,(H2,23,24)/t12-,18+,20-/m0/s1
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n/an/a 2.21E+3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9233981 (2016)


BindingDB Entry DOI: 10.7270/Q26972DF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%