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Found 379 hits of Enz. Inhib. data with enzyme = 'Beta-secretase 2' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM402431
PNG
(US10329291, Example 22)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C21H20BrFN6O2S/c1-29-20(24)28-21(7-2-3-17(21)32(29,30)31)15-10-14(4-5-16(15)23)27-19-18-12(6-8-25-19)9-13(22)11-26-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,24,28)(H,25,27)/t17-,21-/m1/s1
PDB

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UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271172
PNG
(CHEMBL4127711)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C19H19ClFN5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1
PDB

UniProtKB/SwissProt

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US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271163
PNG
(CHEMBL4129654)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1S/C19H18ClF2N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem

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US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402432
PNG
(US10329291, Example 23)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C20H19BrFN7O2S/c1-29-19(23)28-20(6-2-3-16(20)32(29,30)31)13-8-12(4-5-14(13)22)27-18-17-15(25-10-26-18)7-11(21)9-24-17/h4-5,7-10,16H,2-3,6H2,1H3,(H2,23,28)(H,25,26,27)/t16-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271168
PNG
(CHEMBL4127283)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(F)cc2C)ccc1F
Show InChI InChI=1S/C20H21F2N5O3S/c1-11-8-12(21)10-24-17(11)18(28)25-13-5-6-15(22)14(9-13)20-7-3-4-16(20)31(29,30)27(2)19(23)26-20/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20-/m1/s1
PDB

UniProtKB/SwissProt

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US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402420
PNG
(US10329291, Example 11)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(C)c1
Show InChI InChI=1S/C21H24FN5O4S/c1-12-9-14(31-3)11-24-18(12)19(28)25-13-6-7-16(22)15(10-13)21-8-4-5-17(21)32(29,30)27(2)20(23)26-21/h6-7,9-11,17H,4-5,8H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402422
PNG
(US10329291, Example 13)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F
Show InChI InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-18(12)19(29)26-14-5-6-16(22)15(9-14)21-7-3-4-17(21)32(30,31)28(2)20(24)27-21/h5-6,8-9,11,17H,3-4,7H2,1-2H3,(H2,24,27)(H,26,29)/t17-,21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402345
PNG
(US10329291, Example 1)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C19H19F2N5O3S/c1-26-18(22)25-19(8-2-3-16(19)30(26,28)29)13-9-12(5-6-14(13)21)24-17(27)15-7-4-11(20)10-23-15/h4-7,9-10,16H,2-3,8H2,1H3,(H2,22,25)(H,24,27)/t16-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271175
PNG
(CHEMBL4126365)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F
Show InChI InChI=1S/C19H18F3N5O3S/c1-27-18(23)26-19(6-2-3-15(19)31(27,29)30)12-8-11(4-5-13(12)21)25-17(28)16-14(22)7-10(20)9-24-16/h4-5,7-9,15H,2-3,6H2,1H3,(H2,23,26)(H,25,28)/t15-,19-/m1/s1
PDB

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US Patent
1n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365603
PNG
(US9868738, Example 39)
Show SMILES COc1cccc2cc([nH]c12)-c1csc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C(F)(F)F
Show InChI InChI=1/C22H18F3N5OS/c1-21(8-15-13(19(26)30-21)9-27-20(29-15)22(23,24)25)17-7-12(10-32-17)14-6-11-4-3-5-16(31-2)18(11)28-14/h3-7,9-10,28H,8H2,1-2H3,(H2,26,30)/t21-/s2
PDB

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US Patent
1.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365602
PNG
(US9868738, Example 38)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1
Show InChI InChI=1/C24H22ClN5OS/c1-24(10-17-14(22(26)30-24)11-27-23(29-17)12-6-7-12)21-15(25)9-19(32-21)16-8-13-4-3-5-18(31-2)20(13)28-16/h3-5,8-9,11-12,28H,6-7,10H2,1-2H3,(H2,26,30)/t24-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370635
PNG
(US10238743, Example 11)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)S1(=O)=O
Show InChI InChI=1/C19H19Cl2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/s2
PDB

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US Patent
2n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271173
PNG
(CHEMBL4129113)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H19FN6O3S/c1-27-19(23)26-20(8-2-3-17(20)31(27,29)30)14-9-13(5-6-15(14)21)25-18(28)16-7-4-12(10-22)11-24-16/h4-7,9,11,17H,2-3,8H2,1H3,(H2,23,26)(H,25,28)/t17-,20-/m1/s1
PDB

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US Patent
3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402424
PNG
(US10329291, Example 15)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2
Show InChI InChI=1S/C20H22FN5O4S/c1-26-19(22)25-20(9-3-4-17(20)31(26,28)29)14-10-12(5-7-15(14)21)24-18(27)16-8-6-13(30-2)11-23-16/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
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US Patent
3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365607
PNG
(US9868738, Example 43)
Show SMILES C[C@]1(Cc2ncncc2C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C20H16F2N6O/c1-20(7-17-13(18(23)28-20)9-24-10-26-17)14-6-12(3-4-15(14)22)27-19(29)16-5-2-11(21)8-25-16/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,27,29)/t20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365612
PNG
(US9868738, Example 48)
Show SMILES C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C23H20F2N6O/c1-23(9-19-15(20(26)31-23)11-28-21(30-19)12-2-3-12)16-8-14(5-6-17(16)25)29-22(32)18-7-4-13(24)10-27-18/h4-8,10-12H,2-3,9H2,1H3,(H2,26,31)(H,29,32)/t23-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271167
PNG
(CHEMBL4127870)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F
Show InChI InChI=1S/C20H22FN5O3S/c1-12-5-8-16(23-11-12)18(27)24-13-6-7-15(21)14(10-13)20-9-3-4-17(20)30(28,29)26(2)19(22)25-20/h5-8,10-11,17H,3-4,9H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem

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US Patent
3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370637
PNG
(US10238743, Example 13)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O
Show InChI InChI=1/C19H19ClFN5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/s2
PDB

UniProtKB/SwissProt

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US Patent
4n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365609
PNG
(US9868738, Example 45)
Show SMILES Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C21H18ClFN6O/c1-11-25-10-14-18(27-11)8-21(2,29-19(14)24)15-7-13(4-5-16(15)23)28-20(30)17-6-3-12(22)9-26-17/h3-7,9-10H,8H2,1-2H3,(H2,24,29)(H,28,30)/t21-/s2
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
4.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365608
PNG
(US9868738, Example 44)
Show SMILES Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C21H18F2N6O/c1-11-25-10-14-18(27-11)8-21(2,29-19(14)24)15-7-13(4-5-16(15)23)28-20(30)17-6-3-12(22)9-26-17/h3-7,9-10H,8H2,1-2H3,(H2,24,29)(H,28,30)/t21-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365597
PNG
(US9868738, Example 33)
Show SMILES COc1cccc2cc([nH]c12)-c1csc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1
Show InChI InChI=1/C24H23N5OS/c1-24(10-18-16(22(25)29-24)11-26-23(28-18)13-6-7-13)20-9-15(12-31-20)17-8-14-4-3-5-19(30-2)21(14)27-17/h3-5,8-9,11-13,27H,6-7,10H2,1-2H3,(H2,25,29)/t24-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370649
PNG
(US10238743, Example 25)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O
Show InChI InChI=1/C20H21ClFN5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/s2
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TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271166
PNG
(CHEMBL4130055)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F
Show InChI InChI=1S/C20H20F3N5O4S/c1-28-19(24)27-20(8-2-3-16(20)33(28,30)31)13-9-11(4-6-14(13)21)26-17(29)15-7-5-12(10-25-15)32-18(22)23/h4-7,9-10,16,18H,2-3,8H2,1H3,(H2,24,27)(H,26,29)/t16-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271171
PNG
(CHEMBL4125904)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(C)n1
Show InChI InChI=1S/C20H23FN6O4S/c1-11-17(23-10-16(24-11)31-3)18(28)25-12-6-7-14(21)13(9-12)20-8-4-5-15(20)32(29,30)27(2)19(22)26-20/h6-7,9-10,15H,4-5,8H2,1-3H3,(H2,22,26)(H,25,28)/t15-,20-/m1/s1
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TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370639
PNG
(US10238743, Example 15)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O
Show InChI InChI=1/C19H19F2N5O4S/c1-19-12-8-11(24-17(27)16-13(21)7-10(20)9-23-16)3-4-14(12)30-6-5-15(19)31(28,29)26(2)18(22)25-19/h3-4,7-9,15H,5-6H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19+/s2
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TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370638
PNG
(US10238743, Example 14)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1/C19H20FN5O4S/c1-19-13-9-12(23-17(26)14-5-3-11(20)10-22-14)4-6-15(13)29-8-7-16(19)30(27,28)25(2)18(21)24-19/h3-6,9-10,16H,7-8H2,1-2H3,(H2,21,24)(H,23,26)/t16-,19+/s2
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TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370647
PNG
(US10238743, Example 23)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O
Show InChI InChI=1/C20H22ClN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/s2
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7n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370653
PNG
(US10238743, Example 28)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O
Show InChI InChI=1/C20H22FN5O3S/c1-20-15-10-14(24-18(27)16-9-7-13(21)11-23-16)8-6-12(15)4-3-5-17(20)30(28,29)26(2)19(22)25-20/h6-11,17H,3-5H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/s2
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7n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402426
PNG
(US10329291, Example 17)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2
Show InChI InChI=1S/C19H21FN6O4S/c1-26-18(21)25-19(7-3-4-15(19)31(26,28)29)12-8-11(5-6-13(12)20)24-17(27)14-9-23-16(30-2)10-22-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t15-,19-/m1/s1
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8n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402429
PNG
(US10329291, Example 20)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)nccc2n1
Show InChI InChI=1S/C21H22FN7O3S/c1-29-20(23)28-21(8-3-4-16(21)33(29,30)31)13-10-12(5-6-14(13)22)26-19-18-15(7-9-24-19)27-17(32-2)11-25-18/h5-7,9-11,16H,3-4,8H2,1-2H3,(H2,23,28)(H,24,26)/t16-,21-/m1/s1
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US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402428
PNG
(US10329291, Example 19)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)nccc2c1
Show InChI InChI=1S/C22H23FN6O3S/c1-29-21(24)28-22(8-3-4-18(22)33(29,30)31)16-11-14(5-6-17(16)23)27-20-19-13(7-9-25-20)10-15(32-2)12-26-19/h5-7,9-12,18H,3-4,8H2,1-2H3,(H2,24,28)(H,25,27)/t18-,22-/m1/s1
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US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370650
PNG
(US10238743, Example 26)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O
Show InChI InChI=1/C20H21F2N5O3S/c1-20-14-9-13(25-18(28)17-15(22)8-12(21)10-24-17)7-6-11(14)4-3-5-16(20)31(29,30)27(2)19(23)26-20/h6-10,16H,3-5H2,1-2H3,(H2,23,26)(H,25,28)/t16-,20+/s2
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370651
PNG
(US10238743, Example 27)
Show SMILES COc1cc(Br)cnc1C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1
Show InChI InChI=1/C21H24BrN5O4S/c1-21-15-10-14(25-19(28)18-16(31-3)9-13(22)11-24-18)8-7-12(15)5-4-6-17(21)32(29,30)27(2)20(23)26-21/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/s2
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370656
PNG
(US10238743, Example 31)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O
Show InChI InChI=1/C21H24FN5O3S/c1-12-9-14(22)11-24-18(12)19(28)25-15-8-7-13-5-4-6-17-21(2,16(13)10-15)26-20(23)27(3)31(17,29)30/h7-11,17H,4-6H2,1-3H3,(H2,23,26)(H,25,28)/t17-,21+/s2
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370660
PNG
(US10238743, Example 35)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)S1(=O)=O
Show InChI InChI=1/C22H24N6O3S/c1-13-9-14(11-23)12-25-19(13)20(29)26-16-8-7-15-5-4-6-18-22(2,17(15)10-16)27-21(24)28(3)32(18,30)31/h7-10,12,18H,4-6H2,1-3H3,(H2,24,27)(H,26,29)/t18-,22+/s2
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365614
PNG
(US9868738, Example 50)
Show SMILES Cc1ncc2C(=N)N[C@](Cc2n1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1/C22H16F3N7O/c1-11-28-10-14-18(30-11)7-22(21(24)25,32-19(14)27)15-6-13(3-4-16(15)23)31-20(33)17-5-2-12(8-26)9-29-17/h2-6,9-10,21H,7H2,1H3,(H2,27,32)(H,31,33)/t22-/s2
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10.9n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370640
PNG
(US10238743, Example 16)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O
Show InChI InChI=1/C20H20N6O4S/c1-20-14-9-13(24-18(27)15-5-3-12(10-21)11-23-15)4-6-16(14)30-8-7-17(20)31(28,29)26(2)19(22)25-20/h3-6,9,11,17H,7-8H2,1-2H3,(H2,22,25)(H,24,27)/t17-,20+/s2
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370634
PNG
(US10238743, Example 10)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O
Show InChI InChI=1/C19H21N5O4S/c1-19-13-11-12(22-17(25)14-5-3-4-9-21-14)6-7-15(13)28-10-8-16(19)29(26,27)24(2)18(20)23-19/h3-7,9,11,16H,8,10H2,1-2H3,(H2,20,23)(H,22,25)/t16-,19+/s2
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US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365577
PNG
(US9868738, Example 13)
Show SMILES C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N
Show InChI InChI=1/C19H14ClN5S/c1-19(7-15-13(18(22)25-19)9-23-10-24-15)17-14(20)6-16(26-17)12-4-2-3-11(5-12)8-21/h2-6,9-10H,7H2,1H3,(H2,22,25)/t19-/s2
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15.1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365611
PNG
(US9868738, Example 47)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cc2nc(C)ncc2C(=N)N1
Show InChI InChI=1/C22H21FN6O2/c1-12-25-11-15-19(27-12)9-22(2,29-20(15)24)16-8-13(4-6-17(16)23)28-21(30)18-7-5-14(31-3)10-26-18/h4-8,10-11H,9H2,1-3H3,(H2,24,29)(H,28,30)/t22-/s2
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15.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271174
PNG
(CHEMBL4126480)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F
Show InChI InChI=1S/C19H21FN6O3S/c1-11-9-23-15(10-22-11)17(27)24-12-5-6-14(20)13(8-12)19-7-3-4-16(19)30(28,29)26(2)18(21)25-19/h5-6,8-10,16H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t16-,19-/m1/s1
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US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402434
PNG
(US10329291, Example 35)
Show SMILES COCC(=O)Nc1ccc(F)c(c1)C12CCCC1S(=O)(=O)N(C)C(=N)N2
Show InChI InChI=1S/C16H21FN4O4S/c1-21-15(18)20-16(7-3-4-13(16)26(21,23)24)11-8-10(5-6-12(11)17)19-14(22)9-25-2/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,20)(H,19,22)
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US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM370641
PNG
(US10238743, Example 17)
Show SMILES CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O
Show InChI InChI=1/C20H23N5O4S/c1-12-4-6-15(22-11-12)18(26)23-13-5-7-16-14(10-13)20(2)17(8-9-29-16)30(27,28)25(3)19(21)24-20/h4-7,10-11,17H,8-9H2,1-3H3,(H2,21,24)(H,23,26)/t17-,20+/s2
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Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US10238743 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365580
PNG
(US9868738, Example 16)
Show SMILES C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N
Show InChI InChI=1/C19H13ClFN5S/c1-19(6-15-12(18(23)26-19)8-24-9-25-15)17-13(20)5-16(27-17)10-2-3-14(21)11(4-10)7-22/h2-5,8-9H,6H2,1H3,(H2,23,26)/t19-/s2
PDB

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US Patent
16.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM402427
PNG
(US10329291, Example 18)
Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C22H22FN5O4S/c1-3-11-32-15-7-9-18(25-13-15)20(29)26-14-6-8-17(23)16(12-14)22-10-4-5-19(22)33(30,31)28(2)21(24)27-22/h1,6-9,12-13,19H,4-5,10-11H2,2H3,(H2,24,27)(H,26,29)/t19-,22-/m1/s1
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17n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...


US Patent US10329291 (2019)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365576
PNG
(US9868738, Example 12)
Show SMILES CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1
Show InChI InChI=1/C22H18FN5/c1-3-4-14-7-16(11-25-10-14)15-5-6-19(23)18(8-15)22(2)9-20-17(21(24)28-22)12-26-13-27-20/h5-8,10-13H,9H2,1-2H3,(H2,24,28)/t22-/s2
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20.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365600
PNG
(US9868738, Example 36)
Show SMILES C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1sc(cc1Cl)-c1cccc(c1)C#N
Show InChI InChI=1/C22H18ClN5S/c1-22(9-17-15(20(25)28-22)11-26-21(27-17)13-5-6-13)19-16(23)8-18(29-19)14-4-2-3-12(7-14)10-24/h2-4,7-8,11,13H,5-6,9H2,1H3,(H2,25,28)/t22-/s2
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21.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365581
PNG
(US9868738, Example 17)
Show SMILES C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1
Show InChI InChI=1/C20H14ClFN6OS/c1-20(6-15-13(18(23)27-20)7-24-8-25-15)17-14(21)5-16(30-17)10-2-11(4-12(22)3-10)19-28-26-9-29-19/h2-5,7-9H,6H2,1H3,(H2,23,27)/t20-/s2
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21.6n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365604
PNG
(US9868738, Example 40)
Show SMILES C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)C#N
Show InChI InChI=1/C20H14F3N5S/c1-19(16-6-13(10-29-16)12-4-2-3-11(5-12)8-24)7-15-14(17(25)28-19)9-26-18(27-15)20(21,22)23/h2-6,9-10H,7H2,1H3,(H2,25,28)/t19-/s2
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23.1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM365592
PNG
(US9868738, Example 28)
Show SMILES Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1
Show InChI InChI=1/C21H16ClFN6OS/c1-10-25-8-14-16(27-10)7-21(2,28-19(14)24)18-15(22)6-17(31-18)11-3-12(5-13(23)4-11)20-29-26-9-30-20/h3-6,8-9H,7H2,1-2H3,(H2,24,28)/t21-/s2
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24.4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9868738 (2018)

More data for this
Ligand-Target Pair
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