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Patent code US8957083

Compile Data Set for Download or QSAR
Found 31 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))		BDBM147165
PNG
(US8957083, 39)
Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:3|
Show InChI InChI=1S/C26H16F3N5O2/c1-34-24(35)26(33-25(34)30)17-9-14(16-3-2-7-32-23(16)29)4-5-20(17)36-22-18(26)10-15(11-19(22)27)13-6-8-31-21(28)12-13/h2-12H,1H3,(H2,30,33)/t26-/m0/s1
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n/an/a 0.200n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147160
PNG
(US8957083, 34)
Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccc(Cl)c1 |r,c:3,t:26|
Show InChI InChI=1S/C27H21ClFN3O3/c1-32-25(33)27(31-26(32)30)20-12-17(16-3-2-4-19(28)11-16)5-6-23(20)35-24-21(27)13-18(14-22(24)29)15-7-9-34-10-8-15/h2-7,11-14H,8-10H2,1H3,(H2,30,31)/t27-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147154
PNG
(US8957083, 30 | US8957083, 32)
Show SMILES CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 |r,t:24,36|
Show InChI InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147184
PNG
(US8957083, 26)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CC(C)(C)OCC1)-c1cccnc1F |r,c:6,t:27|
Show InChI InChI=1S/C28H25F2N5O3/c1-27(2)13-16(8-10-37-27)20-12-19-23(25(30)33-20)38-21-7-6-15(17-5-4-9-32-24(17)29)11-18(21)28(19)14-22(36)35(3)26(31)34-28/h4-7,9,11-13H,8,10,14H2,1-3H3,(H2,31,34)/t28-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147185
PNG
(US8957083, 27)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOC(C)(C)C1)-c1cccnc1F |r,c:6,t:27|
Show InChI InChI=1S/C28H25F2N5O3/c1-27(2)13-16(8-10-37-27)20-12-19-23(25(30)33-20)38-21-7-6-15(17-5-4-9-32-24(17)29)11-18(21)28(19)14-22(36)35(3)26(31)34-28/h4-9,11-12H,10,13-14H2,1-3H3,(H2,31,34)/t28-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147150
PNG
(US8957083, 9)
Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 |r,c:3,t:33|
Show InChI InChI=1S/C26H21FN4O3/c1-31-24(32)26(30-25(31)28)19-13-16(15-8-11-33-12-9-15)4-6-21(19)34-22-7-5-17(14-20(22)26)18-3-2-10-29-23(18)27/h2-8,10,13-14H,9,11-12H2,1H3,(H2,28,30)/t26-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147154
PNG
(US8957083, 30 | US8957083, 32)
Show SMILES CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 |r,t:24,36|
Show InChI InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147178
PNG
(US8957083, 19)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:6|
Show InChI InChI=1S/C26H17F3N6O2/c1-35-21(36)12-26(34-25(35)30)16-9-13(15-3-2-7-32-23(15)28)4-5-19(16)37-22-17(26)11-18(33-24(22)29)14-6-8-31-20(27)10-14/h2-11H,12H2,1H3,(H2,30,34)/t26-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147175
PNG
(US8957083, 16)
Show SMILES CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F |c:6,t:27|
Show InChI InChI=1S/C26H21F2N5O3/c1-33-21(34)12-26(32-25(33)29)17-10-14(16-5-2-8-30-23(16)27)6-7-20(17)36-22-18(26)11-19(31-24(22)28)15-4-3-9-35-13-15/h2,4-8,10-11H,3,9,12-13H2,1H3,(H2,29,32)
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147186
PNG
(US8957083, 28)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOC(C)(C)C1)-c1cccnc1F |r,c:6|
Show InChI InChI=1S/C28H27F2N5O3/c1-27(2)13-16(8-10-37-27)20-12-19-23(25(30)33-20)38-21-7-6-15(17-5-4-9-32-24(17)29)11-18(21)28(19)14-22(36)35(3)26(31)34-28/h4-7,9,11-12,16H,8,10,13-14H2,1-3H3,(H2,31,34)/t16?,28-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147174
PNG
(US8957083, 18)
Show SMILES CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |c:6|
Show InChI InChI=1S/C26H17F3N6O2/c1-35-21(36)12-26(34-25(35)30)16-9-13(15-3-2-7-32-23(15)28)4-5-19(16)37-22-17(26)11-18(33-24(22)29)14-6-8-31-20(27)10-14/h2-11H,12H2,1H3,(H2,30,34)
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147182
PNG
(US8957083, 17)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F |r,c:6,t:27|
Show InChI InChI=1S/C26H21F2N5O3/c1-33-21(34)12-26(32-25(33)29)17-10-14(16-5-2-8-30-23(16)27)6-7-20(17)36-22-18(26)11-19(31-24(22)28)15-4-3-9-35-13-15/h2,4-8,10-11H,3,9,12-13H2,1H3,(H2,29,32)/t26-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147159
PNG
(US8957083, 37)
Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 |r,c:3|
Show InChI InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/m0/s1
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Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147158
PNG
(US8957083, 33 | US8957083, 36)
Show SMILES CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 |r,c:3|
Show InChI InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/m1/s1
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n/an/a 4.10n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147187
PNG
(US8957083, 40)
Show SMILES COc1ccc2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(N=C(N)N(C)C3=O)c2c1 |t:26|
Show InChI InChI=1S/C23H18ClN5O4/c1-29-21(31)23(28-22(29)25)15-9-13(27-20(30)17-6-3-12(24)11-26-17)4-7-18(15)33-19-8-5-14(32-2)10-16(19)23/h3-11H,1-2H3,(H2,25,28)(H,27,30)
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n/an/a 6.70n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147168
PNG
(US8957083, 22)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,c:6,t:26|
Show InChI InChI=1S/C26H22FN5O3/c1-32-23(33)13-26(31-25(32)28)18-11-16(17-3-2-8-29-24(17)27)4-5-21(18)35-22-14-30-20(12-19(22)26)15-6-9-34-10-7-15/h2-6,8,11-12,14H,7,9-10,13H2,1H3,(H2,28,31)/t26-/m0/s1
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n/an/a 9.30n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147169
PNG
(US8957083, 24)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F |r,c:6,t:26|
Show InChI InChI=1S/C26H22FN5O3/c1-32-23(33)12-26(31-25(32)28)18-10-15(17-5-2-8-29-24(17)27)6-7-21(18)35-22-13-30-20(11-19(22)26)16-4-3-9-34-14-16/h2,4-8,10-11,13H,3,9,12,14H2,1H3,(H2,28,31)/t26-/m0/s1
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n/an/a 12.1n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147173
PNG
(US8957083, 21- B)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:6|
Show InChI InChI=1S/C26H18F2N6O2/c1-34-23(35)12-26(33-25(34)29)17-9-14(16-3-2-7-31-24(16)28)4-5-20(17)36-21-13-32-19(11-18(21)26)15-6-8-30-22(27)10-15/h2-11,13H,12H2,1H3,(H2,29,33)/t26-/m0/s1
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n/an/a 12.2n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147148
PNG
(US8957083, 8)
Show SMILES COc1ccc2Oc3ccc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)-c1cncnc1 |r,t:15|
Show InChI InChI=1S/C21H17N5O3/c1-26-19(27)21(25-20(26)22)15-7-12(13-9-23-11-24-10-13)3-5-17(15)29-18-6-4-14(28-2)8-16(18)21/h3-11H,1-2H3,(H2,22,25)/t21-/m1/s1
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n/an/a 13.4n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147152
PNG
(US8957083, 29)
Show SMILES COc1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)-c1ccc(C)cc1 |r,t:16|
Show InChI InChI=1S/C24H20FN3O3/c1-13-4-6-14(7-5-13)15-10-18-21(19(25)11-15)31-20-9-8-16(30-3)12-17(20)24(18)22(29)28(2)23(26)27-24/h4-12H,1-3H3,(H2,26,27)/t24-/m0/s1
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n/an/a 13.6n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147183
PNG
(US8957083, 13)
Show SMILES CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |c:6|
Show InChI InChI=1S/C26H17F3N6O2/c1-35-20(36)12-26(34-25(35)30)16-10-13(14-4-2-8-31-22(14)27)6-7-19(16)37-21-17(26)11-18(33-24(21)29)15-5-3-9-32-23(15)28/h2-11H,12H2,1H3,(H2,30,34)
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n/an/a 22.8n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147161
PNG
(US8957083, 35)
Show SMILES CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccc(Cl)c1 |r,c:3,t:26|
Show InChI InChI=1S/C27H21ClFN3O3/c1-32-25(33)27(31-26(32)30)20-12-17(16-3-2-4-19(28)11-16)5-6-23(20)35-24-21(27)13-18(14-22(24)29)15-7-9-34-10-8-15/h2-7,11-14H,8-10H2,1H3,(H2,30,31)/t27-/m1/s1
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n/an/a 24.3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147177
PNG
(US8957083, 15)
Show SMILES CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(Cl)cc21)-c1cccnc1F |r,c:6|
Show InChI InChI=1S/C21H14ClF2N5O2/c1-29-16(30)9-21(28-20(29)25)12-7-10(11-3-2-6-26-18(11)23)4-5-14(12)31-17-13(21)8-15(22)27-19(17)24/h2-8H,9H2,1H3,(H2,25,28)/t21-/m0/s1
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n/an/a 33.2n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147179
PNG
(US8957083, 21)
Show SMILES CN1C(=N)NC2(CC1=O)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1F)-c1cccnc1F
Show InChI InChI=1S/C26H18F2N6O2/c1-34-22(35)12-26(33-25(34)29)17-10-14(15-4-2-8-30-23(15)27)6-7-20(17)36-21-13-32-19(11-18(21)26)16-5-3-9-31-24(16)28/h2-11,13H,12H2,1H3,(H2,29,33)
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n/an/a 48.3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147164
PNG
(US8957083, 38)
Show SMILES CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:3|
Show InChI InChI=1S/C26H16F3N5O2/c1-34-24(35)26(33-25(34)30)17-9-14(16-3-2-7-32-23(16)29)4-5-20(17)36-22-18(26)10-15(11-19(22)27)13-6-8-31-21(28)12-13/h2-12H,1H3,(H2,30,33)/t26-/m1/s1
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n/an/a 169n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147155
PNG
(US8957083, 31)
Show SMILES CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 |r,t:24,36|
Show InChI InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/m1/s1
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n/an/a 179n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147158
PNG
(US8957083, 33 | US8957083, 36)
Show SMILES CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 |r,c:3|
Show InChI InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/m1/s1
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n/an/a 225n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147172
PNG
(US8957083, 21- A)
Show SMILES CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:6|
Show InChI InChI=1S/C26H18F2N6O2/c1-34-23(35)12-26(33-25(34)29)17-9-14(16-3-2-7-31-24(16)28)4-5-20(17)36-21-13-32-19(11-18(21)26)15-6-8-30-22(27)10-15/h2-11,13H,12H2,1H3,(H2,29,33)/t26-/m1/s1
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n/an/a 437n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147170
PNG
(US8957083, 23)
Show SMILES CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,c:6,t:26|
Show InChI InChI=1S/C26H22FN5O3/c1-32-23(33)13-26(31-25(32)28)18-11-16(17-3-2-8-29-24(17)27)4-5-21(18)35-22-14-30-20(12-19(22)26)15-6-9-34-10-7-15/h2-6,8,11-12,14H,7,9-10,13H2,1H3,(H2,28,31)/t26-/m1/s1
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n/an/a 1.75E+3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147171
PNG
(US8957083, 25)
Show SMILES CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F |r,c:6,t:26|
Show InChI InChI=1S/C26H22FN5O3/c1-32-23(33)12-26(31-25(32)28)18-10-15(17-5-2-8-29-24(17)27)6-7-21(18)35-22-13-30-20(11-19(22)26)16-4-3-9-34-14-16/h2,4-8,10-11,13H,3,9,12,14H2,1H3,(H2,28,31)/t26-/m1/s1
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n/an/a 2.43E+3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM147176
PNG
(US8957083, 14)
Show SMILES CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(Cl)cc21)-c1cccnc1F |r,c:6|
Show InChI InChI=1S/C21H14ClF2N5O2/c1-29-16(30)9-21(28-20(29)25)12-7-10(11-3-2-6-26-18(11)23)4-5-14(12)31-17-13(21)8-15(22)27-19(17)24/h2-8H,9H2,1H3,(H2,25,28)/t21-/m1/s1
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n/an/a 8.21E+3n/an/an/an/a4.2n/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...

US Patent US8957083 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TS5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%