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Patent code US9556135

Compile Data Set for Download or QSAR

Found 339 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))
BDBM228440
PNG
(US9556135, 25)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C20H22ClFN4O3S/c1-11-7-12(21)9-24-16(11)17(27)25-13-5-6-15(22)14(8-13)20(4)10-30(28,29)19(2,3)18(23)26-20/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229582
PNG
(US9556135, 174)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C20H18ClF2N5O2S/c1-19(10-31(29,30)20(2,23)18(24)28-19)14-8-13(3-4-15(14)22)27-17-16-11(5-6-25-17)7-12(21)9-26-16/h3-9H,10H2,1-2H3,(H2,24,28)(H,25,27)/t19-,20+/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230011
PNG
(US9556135, 178)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C20H17ClF3N5O2S/c1-19(9-32(30,31)20(2,24)18(25)29-19)13-6-11(3-4-14(13)22)28-17-16-12(15(23)8-27-17)5-10(21)7-26-16/h3-8H,9H2,1-2H3,(H2,25,29)(H,27,28)/t19-,20+/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228441
PNG
(US9556135, 26)
Show SMILES CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C23H25FN4O4S/c1-5-6-11-32-16-8-10-19(26-13-16)20(29)27-15-7-9-18(24)17(12-15)23(4)14-33(30,31)22(2,3)21(25)28-23/h7-10,12-13H,11,14H2,1-4H3,(H2,25,28)(H,27,29)/t23-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228479
PNG
(US9556135, 205)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F
Show InChI InChI=1S/C20H19ClF2N4O3S/c1-10-7-11(21)9-25-15(10)16(28)26-12-3-4-14(22)13(8-12)19(2)17(23)31(29,30)20(5-6-20)18(24)27-19/h3-4,7-9,17H,5-6H2,1-2H3,(H2,24,27)(H,26,28)/t17-,19-/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230020
PNG
(US9556135, 203)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F
Show InChI InChI=1S/C21H20F4N4O4S/c1-10-7-12(33-19(24)25)9-27-15(10)16(30)28-11-3-4-14(22)13(8-11)20(2)17(23)34(31,32)21(5-6-21)18(26)29-20/h3-4,7-9,17,19H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t17-,20-/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229989
PNG
(US9556135, 156)
Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F
Show InChI InChI=1S/C22H25F2N5O4S/c1-21(2)20(25)29-22(11-23,12-34(21,31)32)15-7-14(5-6-16(15)24)28-19(30)17-8-27-18(9-26-17)33-10-13-3-4-13/h5-9,13H,3-4,10-12H2,1-2H3,(H2,25,29)(H,28,30)/t22-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228404
PNG
(US9556135, 48)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F
Show InChI InChI=1S/C22H21FN6O2S/c1-21(2)20(25)29-22(3,12-32(21,30)31)16-9-15(4-5-17(16)23)28-19-18-14(6-7-26-19)8-13(10-24)11-27-18/h4-9,11H,12H2,1-3H3,(H2,25,29)(H,26,28)/t22-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230028
PNG
(US9556135, 216)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1
Show InChI InChI=1S/C20H19ClF2N4O3S/c1-11-6-12(21)8-25-16(11)17(28)26-13-2-3-15(23)14(7-13)19(9-22)10-31(29,30)20(4-5-20)18(24)27-19/h2-3,6-8H,4-5,9-10H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229992
PNG
(US9556135, 159)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)CS(=O)(=O)C(C)(C)C(N)=N3)ncc(F)c2c1
Show InChI InChI=1S/C22H22F3N5O3S/c1-21(2)20(26)30-22(10-23,11-34(21,31)32)15-6-12(4-5-16(15)24)29-19-18-14(17(25)9-28-19)7-13(33-3)8-27-18/h4-9H,10-11H2,1-3H3,(H2,26,30)(H,28,29)/t22-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228414
PNG
(US9556135, 49)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-15(14)23)28-18-17-13(16(24)9-27-18)6-11(22)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229990
PNG
(US9556135, 157)
Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C22H19F3N6O2S/c1-21(2)20(26)31-22(10-23,11-34(21,32)33)15-7-12(4-5-16(15)24)30-19-18-14(17(25)9-29-19)6-13(27-3)8-28-18/h4-9H,10-11H2,1-2H3,(H2,26,31)(H,29,30)/t22-/m0/s1
PDB
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n/an/a 0.560n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228473
PNG
(US9556135, 195)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2C=C)ccc1F
Show InChI InChI=1S/C21H22ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h5-10H,1,11H2,2-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1
PDB
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n/an/a 0.590n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228399
PNG
(US9556135, 45)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C21H21ClFN5O2S/c1-20(2)19(24)28-21(3,11-31(20,29)30)15-9-14(4-5-16(15)23)27-18-17-12(6-7-25-18)8-13(22)10-26-17/h4-10H,11H2,1-3H3,(H2,24,28)(H,25,27)/t21-/m0/s1
PDB
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n/an/a 0.590n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228439
PNG
(US9556135, 24)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-7-11(4-5-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1
PDB
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n/an/a 0.600n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228868
PNG
(US9556135, 144)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C21H23F3N4O4S/c1-11-7-13(32-19(23)24)9-26-16(11)17(29)27-12-5-6-15(22)14(8-12)21(4)10-33(30,31)20(2,3)18(25)28-21/h5-9,19H,10H2,1-4H3,(H2,25,28)(H,27,29)/t21-/m0/s1
PDB
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n/an/a 0.600n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230018
PNG
(US9556135, 201)
Show SMILES C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H17ClF2N4O3S/c1-18(16(22)30(28,29)19(6-7-19)17(23)26-18)12-8-11(3-4-13(12)21)25-15(27)14-5-2-10(20)9-24-14/h2-5,8-9,16H,6-7H2,1H3,(H2,23,26)(H,25,27)/t16-,18-/m1/s1
PDB
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n/an/a 0.620n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230001
PNG
(US9556135, 192)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Cl)c3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C21H20Cl2FN5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-16(14)24)28-18-17-13(15(23)9-27-18)6-11(22)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1
PDB
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229056
PNG
(US9556135, 122)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C#N
Show InChI InChI=1S/C22H22FN5O3S/c1-13-8-14(10-24)11-26-18(13)19(29)27-15-4-5-17(23)16(9-15)21(2)12-32(30,31)22(6-3-7-22)20(25)28-21/h4-5,8-9,11H,3,6-7,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-/m0/s1
PDB
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UniChem
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n/an/a 0.760n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230025
PNG
(US9556135, 193)
Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(9-21,10-30(18,28)29)13-7-12(4-5-14(13)22)25-16(27)15-6-3-11(20)8-24-15/h3-8H,9-10H2,1-2H3,(H2,23,26)(H,25,27)/t19-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
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US Patent
n/an/a 0.760n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230012
PNG
(US9556135, 179)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F
Show InChI InChI=1S/C21H17F3N6O2S/c1-20(10-33(31,32)21(2,24)19(26)30-20)14-6-12(3-4-15(14)22)29-18-17-13(16(23)9-28-18)5-11(7-25)8-27-17/h3-6,8-9H,10H2,1-2H3,(H2,26,30)(H,28,29)/t20-,21+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230000
PNG
(US9556135, 188)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Br)c3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C21H20BrClFN5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-12(4-5-16(14)24)28-18-17-13(15(22)9-27-18)6-11(23)8-26-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,27,28)/t21-/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50012660
PNG
(CHEMBL3261078 | US9273042, 5 | US9556135, 19)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H20ClFN4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228478
PNG
(US9556135, 204)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F
Show InChI InChI=1S/C20H19ClF2N4O3S/c1-10-7-11(21)9-25-15(10)16(28)26-12-3-4-14(22)13(8-12)19(2)17(23)31(29,30)20(5-6-20)18(24)27-19/h3-4,7-9,17H,5-6H2,1-2H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229508
PNG
(US9556135, 168)
Show SMILES CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,18(24)32(20,30)31)14-9-13(4-5-15(14)23)28-17-16-11(6-7-26-17)8-12(22)10-27-16/h4-10,18H,1-3H3,(H2,25,29)(H,26,28)/t18-,21+/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230022
PNG
(US9556135, 207)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)C(F)F
Show InChI InChI=1S/C21H20F4N4O3S/c1-10-7-11(16(23)24)9-27-15(10)17(30)28-12-3-4-14(22)13(8-12)20(2)18(25)33(31,32)21(5-6-21)19(26)29-20/h3-4,7-9,16,18H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t18-,20-/m1/s1
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n/an/a 0.920n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228963
PNG
(US9556135, 125)
Show SMILES C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H19ClF2N4O3S/c1-19(10-31(29,30)20(18(24)27-19)7-12(22)8-20)14-6-13(3-4-15(14)23)26-17(28)16-5-2-11(21)9-25-16/h2-6,9,12H,7-8,10H2,1H3,(H2,24,27)(H,26,28)/t12-,19-,20+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228443
PNG
(US9556135, 38)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F
Show InChI InChI=1S/C19H19ClF2N4O3S/c1-18(2)17(23)26-19(3,9-30(18,28)29)12-6-11(7-13(21)15(12)22)25-16(27)14-5-4-10(20)8-24-14/h4-8H,9H2,1-3H3,(H2,23,26)(H,25,27)/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229982
PNG
(US9556135, 180)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F
Show InChI InChI=1S/C20H17F2N7O2S/c1-19(9-32(30,31)20(2,22)18(24)29-19)13-6-12(3-4-14(13)21)28-17-16-15(26-10-27-17)5-11(7-23)8-25-16/h3-6,8,10H,9H2,1-2H3,(H2,24,29)(H,26,27,28)/t19-,20+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228463
PNG
(US9556135, 116)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C22H21ClFN5O2S/c1-21(12-32(30,31)22(6-2-7-22)20(25)29-21)16-10-15(3-4-17(16)24)28-19-18-13(5-8-26-19)9-14(23)11-27-18/h3-5,8-11H,2,6-7,12H2,1H3,(H2,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230029
PNG
(US9556135, 217)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1
Show InChI InChI=1S/C21H20F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-2-3-15(23)14(7-12)20(9-22)10-34(31,32)21(4-5-21)18(26)29-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,26,29)(H,28,30)/t20-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228869
PNG
(US9556135, 120)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H18ClF3N4O3S/c1-18(10-32(30,31)19(17(25)28-18)8-20(23,24)9-19)13-6-12(3-4-14(13)22)27-16(29)15-5-2-11(21)7-26-15/h2-7H,8-10H2,1H3,(H2,25,28)(H,27,29)/t18-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229566
PNG
(US9556135, 162)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nncc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C20H20BrFN6O2S/c1-19(2)18(23)27-20(3,10-31(19,29)30)14-7-13(4-5-15(14)22)26-17-16-11(8-25-28-17)6-12(21)9-24-16/h4-9H,10H2,1-3H3,(H2,23,27)(H,26,28)/t20-/m0/s1
PDB
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n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230017
PNG
(US9556135, 200)
Show SMILES C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H17ClF2N4O3S/c1-18(16(22)30(28,29)19(6-7-19)17(23)26-18)12-8-11(3-4-13(12)21)25-15(27)14-5-2-10(20)9-24-14/h2-5,8-9,16H,6-7H2,1H3,(H2,23,26)(H,25,27)/t16-,18+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230002
PNG
(US9556135, 190)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(C#C)c3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C23H21ClFN5O2S/c1-5-13-10-28-20(19-16(13)8-14(24)11-27-19)29-15-6-7-18(25)17(9-15)23(4)12-33(31,32)22(2,3)21(26)30-23/h1,6-11H,12H2,2-4H3,(H2,26,30)(H,28,29)/t23-/m0/s1
PDB
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n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228415
PNG
(US9556135, 69 | US9556135, 70)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F
Show InChI InChI=1S/C21H20ClF2N5O2S/c1-20(2)19(25)29-21(3,10-32(20,30)31)14-7-13(8-15(23)16(14)24)28-18-17-11(4-5-26-18)6-12(22)9-27-17/h4-9H,10H2,1-3H3,(H2,25,29)(H,26,28)/t21-/m0/s1
PDB
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n/an/a 1.40n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228476
PNG
(US9556135, 197)
Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C21H23ClF2N4O3S/c1-4-12-7-13(22)9-26-17(12)18(29)27-14-5-6-16(24)15(8-14)21(10-23)11-32(30,31)20(2,3)19(25)28-21/h5-9H,4,10-11H2,1-3H3,(H2,25,28)(H,27,29)/t21-/m0/s1
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n/an/a 1.46n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228437
PNG
(US9556135, 22)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C20H23FN4O4S/c1-19(2)18(22)25-20(3,11-30(19,27)28)14-9-12(5-7-15(14)21)24-17(26)16-8-6-13(29-4)10-23-16/h5-10H,11H2,1-4H3,(H2,22,25)(H,24,26)/t20-/m0/s1
PDB
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n/an/a 1.5n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230019
PNG
(US9556135, 202)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F
Show InChI InChI=1S/C21H20F4N4O4S/c1-10-7-12(33-19(24)25)9-27-15(10)16(30)28-11-3-4-14(22)13(8-11)20(2)17(23)34(31,32)21(5-6-21)18(26)29-20/h3-4,7-9,17,19H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t17-,20+/m0/s1
PDB
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n/an/a 1.5n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229994
PNG
(US9556135, 104)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(OCC4CC4)cnc23)ccc1F
Show InChI InChI=1S/C24H27FN6O3S/c1-23(2)22(26)31-24(3,12-35(23,32)33)17-8-15(6-7-18(17)25)30-21-20-19(28-13-29-21)9-16(10-27-20)34-11-14-4-5-14/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,26,31)(H,28,29,30)/t24-/m0/s1
PDB
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n/an/a 1.54n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229389
PNG
(US9556135, 131)
Show SMILES C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C20H19ClF2N4O3S/c1-19(17(23)31(29,30)20(7-2-8-20)18(24)27-19)13-9-12(4-5-14(13)22)26-16(28)15-6-3-11(21)10-25-15/h3-6,9-10,17H,2,7-8H2,1H3,(H2,24,27)(H,26,28)/t17-,19+/m0/s1
PDB
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n/an/a 1.60n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229049
PNG
(US9556135, 127)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1
Show InChI InChI=1S/C21H22ClFN4O3S/c1-12-8-13(22)10-25-17(12)18(28)26-14-4-5-16(23)15(9-14)20(2)11-31(29,30)21(6-3-7-21)19(24)27-20/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,24,27)(H,26,28)/t20-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229050
PNG
(US9556135, 148)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C21H22F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-4-5-15(23)14(7-12)21(9-22)10-34(31,32)20(2,3)18(26)29-21/h4-8,19H,9-10H2,1-3H3,(H2,26,29)(H,28,30)/t21-/m0/s1
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n/an/a 1.63n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229051
PNG
(US9556135, 151)
Show SMILES Cc1cc(OCC2CCC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C25H30F2N4O4S/c1-15-9-18(35-12-16-5-4-6-16)11-29-21(15)22(32)30-17-7-8-20(27)19(10-17)25(13-26)14-36(33,34)24(2,3)23(28)31-25/h7-11,16H,4-6,12-14H2,1-3H3,(H2,28,31)(H,30,32)/t25-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229052
PNG
(US9556135, 106)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F
Show InChI InChI=1S/C18H19ClF3N5O3S/c1-17(2)15(23)25-18(3,8-31(17,29)30)10-6-9(4-5-12(10)20)24-14(28)13-11(19)7-27(26-13)16(21)22/h4-7,16H,8H2,1-3H3,(H2,23,25)(H,24,28)/t18-/m0/s1
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n/an/a 1.74n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228474
PNG
(US9556135, 196)
Show SMILES CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C21H24ClFN4O3S/c1-5-12-8-13(22)10-25-17(12)18(28)26-14-6-7-16(23)15(9-14)21(4)11-31(29,30)20(2,3)19(24)27-21/h6-10H,5,11H2,1-4H3,(H2,24,27)(H,26,28)/t21-/m0/s1
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n/an/a 1.81n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228466
PNG
(US9556135, 117)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C23H21FN6O2S/c1-22(13-33(31,32)23(7-3-8-23)21(25)30-22)17-11-15(4-5-18(17)24)29-20-19-14(6-9-27-20)10-16(26-2)12-28-19/h4-6,9-12H,3,7-8,13H2,1H3,(H2,25,30)(H,27,29)/t22-/m0/s1
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n/an/a 1.89n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230021
PNG
(US9556135, 206)
Show SMILES Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)C(F)F
Show InChI InChI=1S/C21H20F4N4O3S/c1-10-7-11(16(23)24)9-27-15(10)17(30)28-12-3-4-14(22)13(8-12)20(2)18(25)33(31,32)21(5-6-21)19(26)29-20/h3-4,7-9,16,18H,5-6H2,1-2H3,(H2,26,29)(H,28,30)/t18-,20+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230013
PNG
(US9556135, 199)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H18ClFN4O3S/c1-18(10-29(27,28)19(6-7-19)17(22)25-18)13-8-12(3-4-14(13)21)24-16(26)15-5-2-11(20)9-23-15/h2-5,8-9H,6-7,10H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228401
PNG
(US9556135, 18)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C19H20F2N4O3S/c1-18(2)17(22)25-19(3,10-29(18,27)28)13-8-12(5-6-14(13)21)24-16(26)15-7-4-11(20)9-23-15/h4-9H,10H2,1-3H3,(H2,22,25)(H,24,26)/t19-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%