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Patent code US8754075

Compile Data Set for Download or QSAR
Found 87 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))		BDBM124179
PNG
(US8754075, 50)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@]1(C)F |r,t:25|
Show InChI InChI=1S/C21H21F2N5O3/c1-4-5-8-30-17-11-25-16(10-26-17)18(29)27-13-6-7-15(22)14(9-13)21(3)20(2,23)12-31-19(24)28-21/h6-7,9-11H,8,12H2,1-3H3,(H2,24,28)(H,27,29)/t20-,21+/m0/s1
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n/an/a 0.100n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124132
PNG
(US8754075, 1)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15ClF2N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17+/m0/s1
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n/an/a 0.400n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124167
PNG
(US8754075, 38)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
Show InChI InChI=1S/C19H17F2N5O2/c1-18(21)10-28-17(23)26-19(18,2)13-7-12(4-5-14(13)20)25-16(27)15-6-3-11(8-22)9-24-15/h3-7,9H,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-,19+/m0/s1
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n/an/a 0.400n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124133
PNG
(US8754075, 2)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14Cl2F2N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-12(10)20)24-15(26)14-11(19)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 0.600n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124134
PNG
(US8754075, 3)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14F4N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-11(10)19)24-15(26)14-12(20)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124135
PNG
(US8754075, 5)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C18H17F3N4O3/c1-18(15(21)8-27-17(22)25-18)12-6-10(2-4-13(12)20)24-16(26)14-5-3-11(7-23-14)28-9-19/h2-7,15H,8-9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124141
PNG
(US8754075, 11)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H16F4N4O2/c1-18(14(20)8-28-17(23)26-18)11-6-10(3-4-12(11)19)25-16(27)13-5-2-9(7-24-13)15(21)22/h2-7,14-15H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124174
PNG
(US8754075, 45)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17ClF4N4O3/c1-18(15(8-30-17(25)28-18)31-9-19(22,23)24)12-6-11(3-4-13(12)21)27-16(29)14-5-2-10(20)7-26-14/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124176
PNG
(US8754075, 47)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C20H17F4N5O3/c1-19(16(9-31-18(26)29-19)32-10-20(22,23)24)13-6-12(3-4-14(13)21)28-17(30)15-5-2-11(7-25)8-27-15/h2-6,8,16H,9-10H2,1H3,(H2,26,29)(H,28,30)/t16-,19+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432608
PNG
(CHEMBL2347204 | US8754075, 4)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 2


(Homo sapiens (Human))		BDBM124132
PNG
(US8754075, 1)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15ClF2N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17+/m0/s1
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n/an/a 1n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124175
PNG
(US8754075, 46)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F5N4O3/c1-18(15(8-30-17(25)28-18)31-9-19(22,23)24)12-6-11(3-4-13(12)21)27-16(29)14-5-2-10(20)7-26-14/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124139
PNG
(US8754075, 9)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF5N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-12(10)20)27-15(29)14-11(19)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124136
PNG
(US8754075, 6)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C18H16F4N4O3/c1-18(14(20)8-28-17(23)26-18)11-6-9(2-4-12(11)19)25-15(27)13-5-3-10(7-24-13)29-16(21)22/h2-7,14,16H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124137
PNG
(US8754075, 7)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124169
PNG
(US8754075, 40)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C17H16ClF4N5O2/c1-16(22)7-29-15(23)25-17(16,2)9-5-8(3-4-11(9)19)24-13(28)12-10(18)6-27(26-12)14(20)21/h3-6,14H,7H2,1-2H3,(H2,23,25)(H,24,28)/t16-,17+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124138
PNG
(US8754075, 8)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14ClF3N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-11(10)19)24-15(26)14-12(20)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124168
PNG
(US8754075, 39)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:6|
Show InChI InChI=1S/C18H16Cl2F2N4O2/c1-17(22)8-28-16(23)26-18(17,2)11-6-10(3-4-13(11)21)25-15(27)14-12(20)5-9(19)7-24-14/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1
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n/an/a 2n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124141
PNG
(US8754075, 11)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H16F4N4O2/c1-18(14(20)8-28-17(23)26-18)11-6-10(3-4-12(11)19)25-16(27)13-5-2-9(7-24-13)15(21)22/h2-7,14-15H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1
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n/an/a 3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124170
PNG
(US8754075, 41)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C18H17ClF2N4O2/c1-17(21)9-27-16(22)25-18(17,2)12-7-11(4-5-13(12)20)24-15(26)14-6-3-10(19)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1
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n/an/a 3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124177
PNG
(US8754075, 48)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C19H16Cl2F4N4O3/c1-18(14(7-31-17(26)29-18)32-8-19(23,24)25)11-5-10(2-3-13(11)22)28-16(30)15-12(21)4-9(20)6-27-15/h2-6,14H,7-8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
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n/an/a 3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124142
PNG
(US8754075, 12)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14F6N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-11(10)19)27-15(29)14-12(20)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17+/m0/s1
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n/an/a 4n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124144
PNG
(US8754075, 14)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F |r,t:2|
Show InChI InChI=1S/C22H20F2N4O2/c1-22(19(24)12-30-21(25)28-22)16-10-15(7-8-17(16)23)27-20(29)18-9-6-14(11-26-18)5-4-13-2-3-13/h6-11,13,19H,2-3,12H2,1H3,(H2,25,28)(H,27,29)/t19-,22+/m0/s1
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n/an/a 4n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124168
PNG
(US8754075, 39)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:6|
Show InChI InChI=1S/C18H16Cl2F2N4O2/c1-17(22)8-28-16(23)26-18(17,2)11-6-10(3-4-13(11)21)25-15(27)14-12(20)5-9(19)7-24-14/h3-7H,8H2,1-2H3,(H2,23,26)(H,25,27)/t17-,18+/m0/s1
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n/an/a 4n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124143
PNG
(US8754075, 13)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F |r,t:22|
Show InChI InChI=1S/C18H18F2N4O3/c1-18(15(20)9-27-17(21)24-18)12-7-10(3-5-13(12)19)23-16(25)14-6-4-11(26-2)8-22-14/h3-8,15H,9H2,1-2H3,(H2,21,24)(H,23,25)/t15-,18+/m0/s1
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n/an/a 4n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124145
PNG
(US8754075, 15)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F4N5O2/c1-17(13(19)7-28-16(22)26-17)9-4-8(2-3-10(9)18)25-15(27)12-6-23-11(5-24-12)14(20)21/h2-6,13-14H,7H2,1H3,(H2,22,26)(H,25,27)/t13-,17+/m0/s1
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n/an/a 5n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124146
PNG
(US8754075, 16)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C20H21F2N5O3/c1-20(16(22)10-30-19(23)27-20)13-6-12(4-5-14(13)21)26-18(28)15-7-25-17(8-24-15)29-9-11-2-3-11/h4-8,11,16H,2-3,9-10H2,1H3,(H2,23,27)(H,26,28)/t16-,20+/m0/s1
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n/an/a 5n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124138
PNG
(US8754075, 8)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14ClF3N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-11(10)19)24-15(26)14-12(20)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 6n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124170
PNG
(US8754075, 41)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C18H17ClF2N4O2/c1-17(21)9-27-16(22)25-18(17,2)12-7-11(4-5-13(12)20)24-15(26)14-6-3-10(19)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1
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n/an/a 6n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124134
PNG
(US8754075, 3)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14F4N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-11(10)19)24-15(26)14-12(20)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 7n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124150
PNG
(US8754075, 20)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F3N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17+/m0/s1
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n/an/a 7n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124148
PNG
(US8754075, 18)
Show SMILES Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)OC[C@@H]2F)c(C)o1 |r,t:17|
Show InChI InChI=1S/C18H19F2N3O3/c1-9-6-12(10(2)26-9)16(24)22-11-4-5-14(19)13(7-11)18(3)15(20)8-25-17(21)23-18/h4-7,15H,8H2,1-3H3,(H2,21,23)(H,22,24)/t15-,18+/m0/s1
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n/an/a 8n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124147
PNG
(US8754075, 17)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F5N4O3/c1-18(15(21)8-30-17(25)28-18)12-6-10(2-4-13(12)20)27-16(29)14-5-3-11(7-26-14)31-9-19(22,23)24/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
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n/an/a 8n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124149
PNG
(US8754075, 19)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C18H17F4N5O3/c1-18(13(20)7-30-17(23)27-18)10-4-9(2-3-11(10)19)26-16(28)12-5-25-15(6-24-12)29-8-14(21)22/h2-6,13-14H,7-8H2,1H3,(H2,23,27)(H,26,28)/t13-,18+/m0/s1
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n/an/a 8n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124133
PNG
(US8754075, 2)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C17H14Cl2F2N4O2/c1-17(13(21)7-27-16(22)25-17)10-5-9(2-3-12(10)20)24-15(26)14-11(19)4-8(18)6-23-14/h2-6,13H,7H2,1H3,(H2,22,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 8n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124144
PNG
(US8754075, 14)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F |r,t:2|
Show InChI InChI=1S/C22H20F2N4O2/c1-22(19(24)12-30-21(25)28-22)16-10-15(7-8-17(16)23)27-20(29)18-9-6-14(11-26-18)5-4-13-2-3-13/h6-11,13,19H,2-3,12H2,1H3,(H2,25,28)(H,27,29)/t19-,22+/m0/s1
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n/an/a 9n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124150
PNG
(US8754075, 20)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F3N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17+/m0/s1
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n/an/a 10n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124137
PNG
(US8754075, 7)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18+/m0/s1
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n/an/a 10n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124171
PNG
(US8754075, 42)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C18H17F3N4O2/c1-17(21)9-27-16(22)25-18(17,2)12-7-11(4-5-13(12)20)24-15(26)14-6-3-10(19)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1
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n/an/a 11n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124151
PNG
(US8754075, 21)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H18F4N4O3/c1-19(15(21)8-30-18(24)27-19)12-6-10(2-4-13(12)20)26-17(28)14-5-3-11(7-25-14)29-9-16(22)23/h2-7,15-16H,8-9H2,1H3,(H2,24,27)(H,26,28)/t15-,19+/m0/s1
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n/an/a 13n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124152
PNG
(US8754075, 22)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F |r,t:2|
Show InChI InChI=1S/C20H20F2N4O2/c1-20(17(22)10-28-19(23)26-20)14-8-13(5-6-15(14)21)25-18(27)16-7-4-12(9-24-16)11-2-3-11/h4-9,11,17H,2-3,10H2,1H3,(H2,23,26)(H,25,27)/t17-,20+/m0/s1
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n/an/a 14n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124153
PNG
(US8754075, 23)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC3CC3)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C21H22F2N4O3/c1-21(18(23)11-30-20(24)27-21)15-8-13(4-6-16(15)22)26-19(28)17-7-5-14(9-25-17)29-10-12-2-3-12/h4-9,12,18H,2-3,10-11H2,1H3,(H2,24,27)(H,26,28)/t18-,21+/m0/s1
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n/an/a 15n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124154
PNG
(US8754075, 24)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C20H18F6N4O3/c1-19(15(22)8-32-18(27)30-19)12-6-10(2-4-13(12)21)29-16(31)14-5-3-11(7-28-14)33-9-20(25,26)17(23)24/h2-7,15,17H,8-9H2,1H3,(H2,27,30)(H,29,31)/t15-,19+/m0/s1
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n/an/a 17n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124148
PNG
(US8754075, 18)
Show SMILES Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)OC[C@@H]2F)c(C)o1 |r,t:17|
Show InChI InChI=1S/C18H19F2N3O3/c1-9-6-12(10(2)26-9)16(24)22-11-4-5-14(19)13(7-11)18(3)15(20)8-25-17(21)23-18/h4-7,15H,8H2,1-3H3,(H2,21,23)(H,22,24)/t15-,18+/m0/s1
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n/an/a 20n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50432608
PNG
(CHEMBL2347204 | US8754075, 4)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1
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n/an/a 21n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124178
PNG
(US8754075, 49)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C21H19F7N4O4/c1-19(16(8-34-18(29)32-19)36-10-21(26,27)28)13-6-11(2-4-14(13)22)31-17(33)15-5-3-12(7-30-15)35-9-20(23,24)25/h2-7,16H,8-10H2,1H3,(H2,29,32)(H,31,33)/t16-,19+/m0/s1
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n/an/a 21n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124166
PNG
(US8754075, 37)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
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n/an/a 22n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124167
PNG
(US8754075, 38)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
Show InChI InChI=1S/C19H17F2N5O2/c1-18(21)10-28-17(23)26-19(18,2)13-7-12(4-5-14(13)20)25-16(27)15-6-3-11(8-22)9-24-15/h3-7,9H,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-,19+/m0/s1
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n/an/a 23n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124145
PNG
(US8754075, 15)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15F4N5O2/c1-17(13(19)7-28-16(22)26-17)9-4-8(2-3-10(9)18)25-15(27)12-6-23-11(5-24-12)14(20)21/h2-6,13-14H,7H2,1H3,(H2,22,26)(H,25,27)/t13-,17+/m0/s1
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n/an/a 23n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124140
PNG
(US8754075, 10)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F3N5O3/c1-17(13(20)7-27-16(21)25-17)10-4-9(2-3-11(10)19)24-15(26)12-5-23-14(6-22-12)28-8-18/h2-6,13H,7-8H2,1H3,(H2,21,25)(H,24,26)/t13-,17+/m0/s1
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n/an/a 24n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124180
PNG
(US8754075, 51)
Show SMILES NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
Show InChI InChI=1S/C18H14F3N5O2/c1-23-11-3-5-14(24-7-11)16(27)25-10-2-4-13(20)12(6-10)18(9-19)15(21)8-28-17(22)26-18/h2-7,15H,8-9H2,(H2,22,26)(H,25,27)/t15-,18+/m0/s1
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n/an/a 25n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432607
PNG
(CHEMBL2347205 | US8754075, 33)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1
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n/an/a 27n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 2


(Homo sapiens (Human))		BDBM124169
PNG
(US8754075, 40)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C17H16ClF4N5O2/c1-16(22)7-29-15(23)25-17(16,2)9-5-8(3-4-11(9)19)24-13(28)12-10(18)6-27(26-12)14(20)21/h3-6,14H,7H2,1-2H3,(H2,23,25)(H,24,28)/t16-,17+/m0/s1
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n/an/a 31n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124173
PNG
(US8754075, 44)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)C2CC2(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C16H17F4N3O2/c1-14(18)7-25-13(21)23-15(14,2)9-5-8(3-4-11(9)17)22-12(24)10-6-16(10,19)20/h3-5,10H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t10?,14-,15+/m0/s1
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n/an/a 32n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124158
PNG
(US8754075, 28)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C15H14ClF2N5O2/c1-15(11(18)6-25-14(19)22-15)8-4-7(2-3-10(8)17)21-13(24)12-9(16)5-20-23-12/h2-5,11H,6H2,1H3,(H2,19,22)(H,20,23)(H,21,24)/t11-,15+/m0/s1
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n/an/a 35n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124181
PNG
(US8754075, 52)
Show SMILES NC1=N[C@@](CF)([C@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
Show InChI InChI=1S/C18H14F3N5O2/c1-23-11-3-5-14(24-7-11)16(27)25-10-2-4-13(20)12(6-10)18(9-19)15(21)8-28-17(22)26-18/h2-7,15H,8-9H2,(H2,22,26)(H,25,27)/t15-,18-/m1/s1
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n/an/a 39n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124163
PNG
(US8754075, 34)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C17H15ClF2N4O2/c1-17(14(20)8-26-16(21)24-17)11-6-10(3-4-12(11)19)23-15(25)13-5-2-9(18)7-22-13/h2-7,14H,8H2,1H3,(H2,21,24)(H,23,25)/t14-,17-/m1/s1
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n/an/a 42n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124155
PNG
(US8754075, 25)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C20H17F7N4O3/c1-18(15(22)8-33-17(28)31-18)12-6-10(2-4-13(12)21)30-16(32)14-5-3-11(7-29-14)34-9-19(23,24)20(25,26)27/h2-7,15H,8-9H2,1H3,(H2,28,31)(H,30,32)/t15-,18+/m0/s1
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n/an/a 52n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124174
PNG
(US8754075, 45)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17ClF4N4O3/c1-18(15(8-30-17(25)28-18)31-9-19(22,23)24)12-6-11(3-4-13(12)21)27-16(29)14-5-2-10(20)7-26-14/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
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n/an/a 61n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124175
PNG
(US8754075, 46)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F5N4O3/c1-18(15(8-30-17(25)28-18)31-9-19(22,23)24)12-6-11(3-4-13(12)21)27-16(29)14-5-2-10(20)7-26-14/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
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n/an/a 65n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124143
PNG
(US8754075, 13)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F |r,t:22|
Show InChI InChI=1S/C18H18F2N4O3/c1-18(15(20)9-27-17(21)24-18)12-7-10(3-5-13(12)19)23-16(25)14-6-4-11(26-2)8-22-14/h3-8,15H,9H2,1-2H3,(H2,21,24)(H,23,25)/t15-,18+/m0/s1
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n/an/a 65n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124177
PNG
(US8754075, 48)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C19H16Cl2F4N4O3/c1-18(14(7-31-17(26)29-18)32-8-19(23,24)25)11-5-10(2-3-13(11)22)28-16(30)15-12(21)4-9(20)6-27-15/h2-6,14H,7-8H2,1H3,(H2,26,29)(H,28,30)/t14-,18+/m0/s1
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n/an/a 67n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124171
PNG
(US8754075, 42)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:6|
Show InChI InChI=1S/C18H17F3N4O2/c1-17(21)9-27-16(22)25-18(17,2)12-7-11(4-5-13(12)20)24-15(26)14-6-3-10(19)8-23-14/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-,18+/m0/s1
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n/an/a 74n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124161
PNG
(US8754075, 31)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2(CC2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C16H16F2N4O2/c1-15(12(18)7-24-14(20)22-15)10-6-9(2-3-11(10)17)21-13(23)16(8-19)4-5-16/h2-3,6,12H,4-5,7H2,1H3,(H2,20,22)(H,21,23)/t12-,15+/m0/s1
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n/an/a 75n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124156
PNG
(US8754075, 26)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(Cl)s2)ccc1F |r,t:2|
Show InChI InChI=1S/C15H13ClF2N4O2S/c1-15(11(18)6-24-14(19)22-15)8-4-7(2-3-9(8)17)21-12(23)10-5-20-13(16)25-10/h2-5,11H,6H2,1H3,(H2,19,22)(H,21,23)/t11-,15+/m0/s1
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n/an/a 81n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124164
PNG
(US8754075, 35)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18-/m1/s1
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n/an/a 82n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124157
PNG
(US8754075, 27)
Show SMILES Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F)C(F)(F)F |r,t:20|
Show InChI InChI=1S/C17H16F5N5O2/c1-16(12(19)7-29-15(23)25-16)9-5-8(3-4-10(9)18)24-14(28)11-6-13(17(20,21)22)26-27(11)2/h3-6,12H,7H2,1-2H3,(H2,23,25)(H,24,28)/t12-,16+/m0/s1
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n/an/a 90n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124135
PNG
(US8754075, 5)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C18H17F3N4O3/c1-18(15(21)8-27-17(22)25-18)12-6-10(2-4-13(12)20)24-16(26)14-5-3-11(7-23-14)28-9-19/h2-7,15H,8-9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1
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n/an/a 106n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124172
PNG
(US8754075, 43)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(CC(F)F)cc2Cl)ccc1F |r,c:6|
Show InChI InChI=1S/C18H18ClF4N5O2/c1-17(23)8-30-16(24)26-18(17,2)10-5-9(3-4-12(10)20)25-15(29)14-11(19)6-28(27-14)7-13(21)22/h3-6,13H,7-8H2,1-2H3,(H2,24,26)(H,25,29)/t17-,18+/m0/s1
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n/an/a 110n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124139
PNG
(US8754075, 9)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF5N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-12(10)20)27-15(29)14-11(19)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17+/m0/s1
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n/an/a 124n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124152
PNG
(US8754075, 22)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F |r,t:2|
Show InChI InChI=1S/C20H20F2N4O2/c1-20(17(22)10-28-19(23)26-20)14-8-13(5-6-15(14)21)25-18(27)16-7-4-12(9-24-16)11-2-3-11/h4-9,11,17H,2-3,10H2,1H3,(H2,23,26)(H,25,27)/t17-,20+/m0/s1
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n/an/a 124n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124158
PNG
(US8754075, 28)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C15H14ClF2N5O2/c1-15(11(18)6-25-14(19)22-15)8-4-7(2-3-10(8)17)21-13(24)12-9(16)5-20-23-12/h2-5,11H,6H2,1H3,(H2,19,22)(H,20,23)(H,21,24)/t11-,15+/m0/s1
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n/an/a 130n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124173
PNG
(US8754075, 44)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)C2CC2(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C16H17F4N3O2/c1-14(18)7-25-13(21)23-15(14,2)9-5-8(3-4-11(9)17)22-12(24)10-6-16(10,19)20/h3-5,10H,6-7H2,1-2H3,(H2,21,23)(H,22,24)/t10?,14-,15+/m0/s1
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n/an/a 140n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124165
PNG
(US8754075, 36)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF5N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-12(10)20)27-15(29)14-11(19)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m1/s1
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n/an/a 140n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124172
PNG
(US8754075, 43)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(CC(F)F)cc2Cl)ccc1F |r,c:6|
Show InChI InChI=1S/C18H18ClF4N5O2/c1-17(23)8-30-16(24)26-18(17,2)10-5-9(3-4-12(10)20)25-15(29)14-11(19)6-28(27-14)7-13(21)22/h3-6,13H,7-8H2,1-2H3,(H2,24,26)(H,25,29)/t17-,18+/m0/s1
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n/an/a 183n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124166
PNG
(US8754075, 37)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F |r,c:6|
Show InChI InChI=1S/C20H19F5N4O3/c1-18(22)9-32-17(26)29-19(18,2)12-8-11(5-6-13(12)21)28-16(30)15-14(4-3-7-27-15)31-10-20(23,24)25/h3-8H,9-10H2,1-2H3,(H2,26,29)(H,28,30)/t18-,19+/m0/s1
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n/an/a 226n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124159
PNG
(US8754075, 29)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cncs2)ccc1F |r,t:2|
Show InChI InChI=1S/C15H14F2N4O2S/c1-15(12(17)6-23-14(18)21-15)9-4-8(2-3-10(9)16)20-13(22)11-5-19-7-24-11/h2-5,7,12H,6H2,1H3,(H2,18,21)(H,20,22)/t12-,15+/m0/s1
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n/an/a 250n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124176
PNG
(US8754075, 47)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C20H17F4N5O3/c1-19(16(9-31-18(26)29-19)32-10-20(22,23)24)13-6-12(3-4-14(13)21)28-17(30)15-5-2-11(7-25)8-27-15/h2-6,8,16H,9-10H2,1H3,(H2,26,29)(H,28,30)/t16-,19+/m0/s1
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n/an/a 268n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124164
PNG
(US8754075, 35)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF2N5O2/c1-18(14(21)8-28-17(23)26-18)11-5-10(2-3-13(11)20)25-16(27)15-12(19)4-9(6-22)7-24-15/h2-5,7,14H,8H2,1H3,(H2,23,26)(H,25,27)/t14-,18-/m1/s1
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n/an/a 511n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124146
PNG
(US8754075, 16)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C20H21F2N5O3/c1-20(16(22)10-30-19(23)27-20)13-6-12(4-5-14(13)21)26-18(28)15-7-25-17(8-24-15)29-9-11-2-3-11/h4-8,11,16H,2-3,9-10H2,1H3,(H2,23,27)(H,26,28)/t16-,20+/m0/s1
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n/an/a 590n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124157
PNG
(US8754075, 27)
Show SMILES Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F)C(F)(F)F |r,t:20|
Show InChI InChI=1S/C17H16F5N5O2/c1-16(12(19)7-29-15(23)25-16)9-5-8(3-4-10(9)18)24-14(28)11-6-13(17(20,21)22)26-27(11)2/h3-6,12H,7H2,1-2H3,(H2,23,25)(H,24,28)/t12-,16+/m0/s1
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n/an/a 709n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124162
PNG
(US8754075, 32)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2CC2)ccc1F |r,t:2|
Show InChI InChI=1S/C15H17F2N3O2/c1-15(12(17)7-22-14(18)20-15)10-6-9(4-5-11(10)16)19-13(21)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H2,18,20)(H,19,21)/t12-,15+/m0/s1
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n/an/a 730n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM124160
PNG
(US8754075, 30)
Show SMILES Cc1cc(nn1C)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F |r,t:21|
Show InChI InChI=1S/C17H19F2N5O2/c1-9-6-13(23-24(9)3)15(25)21-10-4-5-12(18)11(7-10)17(2)14(19)8-26-16(20)22-17/h4-7,14H,8H2,1-3H3,(H2,20,22)(H,21,25)/t14-,17+/m0/s1
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n/an/a 760n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM50432607
PNG
(CHEMBL2347205 | US8754075, 33)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18-/m1/s1
PDB

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n/an/a 1.17E+3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124156
PNG
(US8754075, 26)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(Cl)s2)ccc1F |r,t:2|
Show InChI InChI=1S/C15H13ClF2N4O2S/c1-15(11(18)6-24-14(19)22-15)8-4-7(2-3-9(8)17)21-12(23)10-5-20-13(16)25-10/h2-5,11H,6H2,1H3,(H2,19,22)(H,21,23)/t11-,15+/m0/s1
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n/an/a 1.41E+3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124147
PNG
(US8754075, 17)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
Show InChI InChI=1S/C19H17F5N4O3/c1-18(15(21)8-30-17(25)28-18)12-6-10(2-4-13(12)20)27-16(29)14-5-3-11(7-26-14)31-9-19(22,23)24/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM124165
PNG
(US8754075, 36)
Show SMILES C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C18H14ClF5N4O2/c1-17(13(21)7-30-16(25)28-17)10-5-9(2-3-12(10)20)27-15(29)14-11(19)4-8(6-26-14)18(22,23)24/h2-6,13H,7H2,1H3,(H2,25,28)(H,27,29)/t13-,17-/m1/s1
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n/an/a 4.03E+3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...

US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%