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Patent code US8962859

Compile Data Set for Download or QSAR
Found 12 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))
BDBM149348
PNG
(US8962859, 8B)
Show SMILES NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C27H15F3N6O/c28-20-12-16(14-5-7-32-22(29)13-14)11-19-23(20)37-21-4-3-15(17-2-1-6-33-24(17)30)10-18(21)27(19)25-34-8-9-36(25)26(31)35-27/h1-13H,(H2,31,35)/t27-/m1/s1
PDB
MMDB

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US Patent
n/an/a 0.300n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149350
PNG
(US8962859, 13)
Show SMILES NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,28|
Show InChI InChI=1S/C27H19F2N5O2/c28-21-13-17(16-3-2-10-35-14-16)12-20-23(21)36-22-6-5-15(18-4-1-7-31-24(18)29)11-19(22)27(20)25-32-8-9-34(25)26(30)33-27/h1,3-9,11-13H,2,10,14H2,(H2,30,33)/t27-/m0/s1
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US Patent
n/an/a 0.400n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149352
PNG
(US8962859, 15)
Show SMILES Cc1ccc(cc1)-c1cc(F)c2Oc3ccc(cc3[C@]3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F |r,t:22|
Show InChI InChI=1S/C29H19F2N5O/c1-16-4-6-17(7-5-16)19-14-22-25(23(30)15-19)37-24-9-8-18(20-3-2-10-33-26(20)31)13-21(24)29(22)27-34-11-12-36(27)28(32)35-29/h2-15H,1H3,(H2,32,35)/t29-/m0/s1
PDB
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US Patent
n/an/a 0.400n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149353
PNG
(BDBM149355 | US8962859, 9B)
Show SMILES NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C26H20F2N6O2/c27-20-14-16(33-8-10-35-11-9-33)13-19-22(20)36-21-4-3-15(17-2-1-5-30-23(17)28)12-18(21)26(19)24-31-6-7-34(24)25(29)32-26/h1-7,12-14H,8-11H2,(H2,29,32)/t26-/m1/s1
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US Patent
n/an/a 0.600n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149353
PNG
(BDBM149355 | US8962859, 9B)
Show SMILES NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C26H20F2N6O2/c27-20-14-16(33-8-10-35-11-9-33)13-19-22(20)36-21-4-3-15(17-2-1-5-30-23(17)28)12-18(21)26(19)24-31-6-7-34(24)25(29)32-26/h1-7,12-14H,8-11H2,(H2,29,32)/t26-/m1/s1
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US Patent
n/an/a 0.700n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149356
PNG
(US8962859, 17)
Show SMILES NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C27H20F4N6O/c28-20-14-16(36-9-5-26(30,31)6-10-36)13-19-22(20)38-21-4-3-15(17-2-1-7-33-23(17)29)12-18(21)27(19)24-34-8-11-37(24)25(32)35-27/h1-4,7-8,11-14H,5-6,9-10H2,(H2,32,35)/t27-/m0/s1
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US Patent
n/an/a 0.700n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149346
PNG
(US8962859, 11)
Show SMILES COc1cc(F)c2Oc3ccc(cc3C3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F |t:16|
Show InChI InChI=1S/C23H15F2N5O2/c1-31-13-10-16-19(17(24)11-13)32-18-5-4-12(14-3-2-6-27-20(14)25)9-15(18)23(16)21-28-7-8-30(21)22(26)29-23/h2-11H,1H3,(H2,26,29)
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US Patent
n/an/a 9n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149347
PNG
(US8962859, 8A)
Show SMILES NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C27H15F3N6O/c28-20-12-16(14-5-7-32-22(29)13-14)11-19-23(20)37-21-4-3-15(17-2-1-6-33-24(17)30)10-18(21)27(19)25-34-8-9-36(25)26(31)35-27/h1-13H,(H2,31,35)/t27-/m0/s1
PDB
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US Patent
n/an/a 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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149357
PNG
(US8962859, 10)
Show SMILES COc1cc(F)c2Oc3ccc(cc3[C@]3(N=C(N)N4CCCN=C34)c2c1)-c1cccnc1F |r,t:16,23|
Show InChI InChI=1S/C24H19F2N5O2/c1-32-14-11-17-20(18(25)12-14)33-19-6-5-13(15-4-2-7-28-21(15)26)10-16(19)24(17)22-29-8-3-9-31(22)23(27)30-24/h2,4-7,10-12H,3,8-9H2,1H3,(H2,27,30)/t24-/m0/s1
PDB
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US Patent
n/an/a 22n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149349
PNG
(US8962859, 12)
Show SMILES NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,28|
Show InChI InChI=1S/C27H19F2N5O2/c28-21-13-17(16-3-2-10-35-14-16)12-20-23(21)36-22-6-5-15(18-4-1-7-31-24(18)29)11-19(22)27(20)25-32-8-9-34(25)26(30)33-27/h1,3-9,11-13H,2,10,14H2,(H2,30,33)/t27-/m1/s1
PDB
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n/an/a 23n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149351
PNG
(US8962859, 14)
Show SMILES Cc1ccc(cc1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F |r,t:22|
Show InChI InChI=1S/C29H19F2N5O/c1-16-4-6-17(7-5-16)19-14-22-25(23(30)15-19)37-24-9-8-18(20-3-2-10-33-26(20)31)13-21(24)29(22)27-34-11-12-36(27)28(32)35-29/h2-15H,1H3,(H2,32,35)/t29-/m1/s1
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n/an/a 114n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149354
PNG
(US8962859, 9A)
Show SMILES NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C26H20F2N6O2/c27-20-14-16(33-8-10-35-11-9-33)13-19-22(20)36-21-4-3-15(17-2-1-5-30-23(17)28)12-18(21)26(19)24-31-6-7-34(24)25(29)32-26/h1-7,12-14H,8-11H2,(H2,29,32)/t26-/m0/s1
PDB
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US Patent
n/an/a 189n/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 US8962859 (2015)


BindingDB Entry DOI: 10.7270/Q2G15ZJZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%