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Found 1078 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 2 (BACE2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 2 (BACE2)


(Homo sapiens (human))
BDBM172740
PNG
(US9096541, 113)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
Show InChI InChI=1/C38H52N4O5/c1-7-14-33(43)35(37(46)40-23-25(2)3)39-24-34(44)32(21-28-15-10-8-11-16-28)41-36(45)30-19-26(4)20-31(22-30)38(47)42(6)27(5)29-17-12-9-13-18-29/h8-13,15-20,22,25,27,32-35,39,43-44H,7,14,21,23-24H2,1-6H3,(H,40,46)(H,41,45)
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US Patent
0.00140n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...


US Patent US9096541 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM172750
PNG
(US9096541, 6412)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
Show InChI InChI=1/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...


US Patent US9096541 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143218
PNG
(US8940748, 34 | US9029362, 34)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/s2
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US Patent
0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8940748 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143218
PNG
(US8940748, 34 | US9029362, 34)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C17H17ClFN5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/s2
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US Patent
0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9029362 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190709
PNG
(US9181236, 13)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C21H22F2N4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/s2
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US Patent
0.300n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190708
PNG
(US9181236, 12)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C21H22ClFN4O3S/c1-20(12-31(29,30)21(19(24)27-20)8-2-3-9-21)15-10-14(5-6-16(15)23)26-18(28)17-7-4-13(22)11-25-17/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/s2
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US Patent
0.300n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143227
PNG
(US8940748, 52 | US9029362, 52)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/s2
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US Patent
0.370n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9029362 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143227
PNG
(US8940748, 52 | US9029362, 52)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1/C17H17ClN4O2S2/c1-4-5-11-6-12(9-20-8-11)14-7-13(18)15(25-14)17(2)10-26(23,24)22(3)16(19)21-17/h6-9H,10H2,1-3H3,(H2,19,21)/t17-/s2
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US Patent
0.370n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8940748 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM47353
PNG
(BDBM143220 | US9029362, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/s2
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US Patent
0.370n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8940748 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM47353
PNG
(BDBM143220 | US9029362, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/s2
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US Patent
0.370n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9029362 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190697
PNG
(US9181236, 1)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/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-/s2
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US Patent
0.400n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143223
PNG
(US8940748, 35 | US9029362, 35)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F
Show InChI InChI=1/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/s2
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US Patent
0.450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9029362 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143223
PNG
(US8940748, 35 | US9029362, 35)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F
Show InChI InChI=1/C18H20FN5O3S/c1-11-4-7-15(21-9-11)16(25)22-12-5-6-14(19)13(8-12)18(2)10-28(26,27)24(3)17(20)23-18/h4-9H,10H2,1-3H3,(H2,20,23)(H,22,25)/t18-/s2
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0.450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8940748 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM47353
PNG
(BDBM143220 | US9029362, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/s2
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US Patent
0.470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9029362 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM47353
PNG
(BDBM143220 | US9029362, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/s2
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US Patent
0.470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9029362 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM143224
PNG
(US8940748, 173)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F
Show InChI InChI=1/C17H16F3N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)13-10(19)4-6-11(14(13)20)23-15(26)12-5-3-9(18)7-22-12/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/s2
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US Patent
0.470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8940748 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190700
PNG
(US9181236, 4)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F
Show InChI InChI=1/C19H17F3N4O3S/c1-18(9-30(28,29)19(4-5-19)17(23)26-18)12-7-11(2-3-13(12)21)25-16(27)15-14(22)6-10(20)8-24-15/h2-3,6-8H,4-5,9H2,1H3,(H2,23,26)(H,25,27)/t18-/s2
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0.5n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190711
PNG
(US9181236, 15)
Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1
Show InChI InChI=1/C22H25FN4O4S/c1-21(13-32(29,30)22(20(24)27-21)9-3-4-10-22)16-11-14(5-7-17(16)23)26-19(28)18-8-6-15(31-2)12-25-18/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,24,27)(H,26,28)/t21-/s2
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0.600n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190714
PNG
(US9181236, 18)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1/C21H21Cl2FN4O3S/c1-20(11-32(30,31)21(19(25)28-20)6-2-3-7-21)14-9-13(4-5-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h4-5,8-10H,2-3,6-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/s2
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0.800n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190699
PNG
(US9181236, 3)
Show SMILES C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C19H18F2N4O3S/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-/s2
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US Patent
0.900n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190773
PNG
(US9181236, 62g)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21-/s2
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0.900n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM50392835
PNG
(CHEMBL2151181)
Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1
Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1
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Article
<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant BACE2 by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190796
PNG
(US9181236, 64)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1
Show InChI InChI=1/C20H20ClN3O3S2/c1-19(10-29(25,26)20(6-7-20)18(22)24-19)17-12(21)9-15(28-17)13-8-11-4-3-5-14(27-2)16(11)23-13/h3-5,8-9,23H,6-7,10H2,1-2H3,(H2,22,24)/t19-/s2
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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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190761
PNG
(US9181236, 58)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O3S2/c1-20(11-30(26,27)21(7-4-8-21)19(23)25-20)18-13(22)10-16(29-18)14-9-12-5-3-6-15(28-2)17(12)24-14/h3,5-6,9-10,24H,4,7-8,11H2,1-2H3,(H2,23,25)/t20-/s2
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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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236584
PNG
(US9365589, 1k)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236585
PNG
(US9365589, 1l)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236591
PNG
(US9365589, 1r)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236592
PNG
(US9365589, 1s)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236594
PNG
(US9365589, 1u)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236595
PNG
(US9365589, 1v)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236575
PNG
(US9365589, 1b)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236574
PNG
(US9365589, 1a)
PDB
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236599
PNG
(US9365589, 1z)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236601
PNG
(US9365589, 4a | US9365589, 4b)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236603
PNG
(US9365589, 4c | US9365589, 4f)
PDB
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM236610
PNG
(US9365589, 8b)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9365589 (2016)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM172742
PNG
(US9096541, 213)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
Show InChI InChI=1/C36H48N4O5/c1-23(2)21-38-35(44)33(26(5)41)37-22-32(42)31(19-27-13-9-7-10-14-27)39-34(43)29-17-24(3)18-30(20-29)36(45)40(6)25(4)28-15-11-8-12-16-28/h7-18,20,23,25-26,31-33,37,41-42H,19,21-22H2,1-6H3,(H,38,44)(H,39,43)
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US Patent
1.00n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...


US Patent US9096541 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM16250
PNG
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1
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PubMed
1.20 -53.0n/an/an/an/an/a4.537



Purdue University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190727
PNG
(US9181236, 31)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1/C21H21Cl2FN4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-16(14)24)27-18(29)17-15(23)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/s2
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1.20n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190717
PNG
(US9181236, 21)
Show SMILES Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1
Show InChI InChI=1/C19H22FN5O4S/c1-11-22-15(25-29-11)16(26)23-12-5-6-14(20)13(9-12)18(2)10-30(27,28)19(17(21)24-18)7-3-4-8-19/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,21,24)(H,23,26)/t18-/s2
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1.30n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM199101
PNG
(US9221839, 5)
Show SMILES CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C18H17ClFN5O4S/c1-25-17(21)24-18(9-29-8-15(18)30(25,27)28)12-6-11(3-4-13(12)20)23-16(26)14-5-2-10(19)7-22-14/h2-7,15H,8-9H2,1H3,(H2,21,24)(H,23,26)/t15-,18-/s2
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1.30n/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-EISE...


US Patent US9221839 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190784
PNG
(US9181236, 63c)
Show SMILES C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C20H20ClFN4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20+/s2
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1.30n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190732
PNG
(US9181236, 35a)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F
Show InChI InChI=1/C21H21ClF2N4O4S/c1-20(11-33(30,31)21(19(25)28-20)4-6-32-7-5-21)14-9-13(2-3-15(14)23)27-18(29)17-16(24)8-12(22)10-26-17/h2-3,8-10H,4-7,11H2,1H3,(H2,25,28)(H,27,29)/t20-/s2
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1.40n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190787
PNG
(US9181236, 63f)
Show SMILES COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1
Show InChI InChI=1/C21H22ClN3O4S2/c1-20(11-31(26,27)21(19(23)25-20)6-7-29-10-21)18-13(22)9-16(30-18)14-8-12-4-3-5-15(28-2)17(12)24-14/h3-5,8-9,24H,6-7,10-11H2,1-2H3,(H2,23,25)/t20-,21+/s2
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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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190713
PNG
(US9181236, 17)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1
Show InChI InChI=1/C21H24FN5O4S/c1-20(12-32(29,30)21(19(23)27-20)7-3-4-8-21)14-9-13(5-6-15(14)22)26-18(28)16-10-25-17(31-2)11-24-16/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,23,27)(H,26,28)/t20-/s2
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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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM182843
PNG
(US9145426, 19)
Show SMILES COc1nc(nc(C)c1F)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C24H23F3N8O4S/c1-12-19(27)21(39-3)32-23(30-12)35-10-18-24(11-35,33-22(28)34(2)40(18,37)38)15-8-14(5-6-16(15)26)31-20(36)17-7-4-13(25)9-29-17/h4-9,18H,10-11H2,1-3H3,(H2,28,33)(H,31,36)/t18?,24-/s2
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US Patent
1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9145426 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190729
PNG
(US9181236, 33)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C21H22ClFN4O4S/c1-20(12-32(29,30)21(19(24)27-20)6-8-31-9-7-21)15-10-14(3-4-16(15)23)26-18(28)17-5-2-13(22)11-25-17/h2-5,10-11H,6-9,12H2,1H3,(H2,24,27)(H,26,28)/t20-/s2
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1.60n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM182833
PNG
(US9145426, 9)
Show SMILES COCc1cc(OC)nc(c1)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)ccc1F
Show InChI InChI=1/C20H23F2N5O4S/c1-26-19(23)25-20(14-8-13(21)4-5-15(14)22)11-27(9-16(20)32(26,28)29)17-6-12(10-30-2)7-18(24-17)31-3/h4-8,16H,9-11H2,1-3H3,(H2,23,25)/t16-,20-/s2
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9145426 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190808
PNG
(US9181236, 75)
Show SMILES C[C@]1(CS(=O)(=O)[C@]2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1/C20H20F2N4O4S/c1-19(10-31(29,30)20(18(23)26-19)7-13(27)8-20)14-6-12(3-4-15(14)22)25-17(28)16-5-2-11(21)9-24-16/h2-6,9,13,27H,7-8,10H2,1H3,(H2,23,26)(H,25,28)/t13-,19-,20-/s2
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1.70n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Homo sapiens (human))
BDBM190769
PNG
(US9181236, 62c)
Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1/C20H20ClFN4O4S/c1-19(11-31(28,29)20(18(23)26-19)6-7-30-10-20)14-8-13(3-4-15(14)22)25-17(27)16-5-2-12(21)9-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,23,26)(H,25,27)/t19-,20-/s2
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1.80n/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-EISE...


US Patent US9181236 (2015)

More data for this
Ligand-Target Pair
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