BindingDB logo
myBDB logout

Patent code US10071998

Compile Data Set for Download or QSAR
Found 58 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 2


(Homo sapiens (Human))
BDBM276786
PNG
(3-chloro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C19H18ClFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
0.220n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276793
PNG
(3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F
Show InChI InChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
0.240n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276787
PNG
(3-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C19H18BrFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
0.380n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276791
PNG
(8-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-diox...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H18FN7O2S/c1-20(11-31(29,30)28(3)19(22)27-20)15-9-13(4-5-16(15)21)26-18-17-12(6-7-24-18)8-14(23-2)10-25-17/h4-10H,11H2,1,3H3,(H2,22,27)(H,24,26)/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
0.460n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276788
PNG
(7-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C18H17BrFN7O2S/c1-18(8-30(28,29)27(2)17(21)26-18)12-6-11(3-4-13(12)20)25-16-15-14(23-9-24-16)5-10(19)7-22-15/h3-7,9H,8H2,1-2H3,(H2,21,26)(H,23,24,25)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
0.810n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276796
PNG
(8-({2,4-difluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(Nc2nccc3cc(cnc23)[N+]#[C-])c1F
Show InChI InChI=1S/C20H17F2N7O2S/c1-20(10-32(30,31)29(3)19(23)28-20)15-13(21)4-5-14(16(15)22)27-18-17-11(6-7-25-18)8-12(24-2)9-26-17/h4-9H,10H2,1,3H3,(H2,23,28)(H,25,27)/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
1.10n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276786
PNG
(3-chloro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C19H18ClFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
1.20n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276791
PNG
(8-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-diox...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H18FN7O2S/c1-20(11-31(29,30)28(3)19(22)27-20)15-9-13(4-5-16(15)21)26-18-17-12(6-7-24-18)8-14(23-2)10-25-17/h4-10H,11H2,1,3H3,(H2,22,27)(H,24,26)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
1.30n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276791
PNG
(8-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-diox...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H18FN7O2S/c1-20(11-31(29,30)28(3)19(22)27-20)15-9-13(4-5-16(15)21)26-18-17-12(6-7-24-18)8-14(23-2)10-25-17/h4-10H,11H2,1,3H3,(H2,22,27)(H,24,26)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
1.31n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276787
PNG
(3-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C19H18BrFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
1.5n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276797
PNG
(2-(difluoromethyl)-N-{4-fluoro-3-[(5R)-3-imino-2,5...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)F)ccc1F
Show InChI InChI=1S/C19H18F3N7O2S/c1-19(9-32(30,31)29(2)18(23)28-19)11-7-10(3-4-12(11)20)26-17-15-13(5-6-24-17)27-14(8-25-15)16(21)22/h3-8,16H,9H2,1-2H3,(H2,23,28)(H,24,26)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
1.80n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276796
PNG
(8-({2,4-difluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(Nc2nccc3cc(cnc23)[N+]#[C-])c1F
Show InChI InChI=1S/C20H17F2N7O2S/c1-20(10-32(30,31)29(3)19(23)28-20)15-13(21)4-5-14(16(15)22)27-18-17-11(6-7-25-18)8-12(24-2)9-26-17/h4-9H,10H2,1,3H3,(H2,23,28)(H,25,27)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276796
PNG
(8-({2,4-difluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(Nc2nccc3cc(cnc23)[N+]#[C-])c1F
Show InChI InChI=1S/C20H17F2N7O2S/c1-20(10-32(30,31)29(3)19(23)28-20)15-13(21)4-5-14(16(15)22)27-18-17-11(6-7-25-18)8-12(24-2)9-26-17/h4-9H,10H2,1,3H3,(H2,23,28)(H,25,27)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276793
PNG
(3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F
Show InChI InChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276793
PNG
(3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F
Show InChI InChI=1S/C19H18F2N6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276794
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2n1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)12-8-11(4-5-13(12)20)24-17-16-14(6-7-22-17)25-15(30-3)9-23-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,24)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.60n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276794
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2n1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)12-8-11(4-5-13(12)20)24-17-16-14(6-7-22-17)25-15(30-3)9-23-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,24)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.60n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276788
PNG
(7-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C18H17BrFN7O2S/c1-18(8-30(28,29)27(2)17(21)26-18)12-6-11(3-4-13(12)20)25-16-15-14(23-9-24-16)5-10(19)7-22-15/h3-7,9H,8H2,1-2H3,(H2,21,26)(H,23,24,25)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.80n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276792
PNG
(4-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-diox...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C19H17FN8O2S/c1-19(9-31(29,30)28(3)18(21)27-19)13-6-11(4-5-14(13)20)26-17-16-15(24-10-25-17)7-12(22-2)8-23-16/h4-8,10H,9H2,1,3H3,(H2,21,27)(H,24,25,26)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
3n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276803
PNG
((S)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-d...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H21FN6O2S/c1-20(11-30(28,29)27(3)19(22)26-20)15-9-13(5-6-16(15)21)25-17-7-4-12-8-14(23-2)10-24-18(12)17/h5-6,8-10,17,25H,4,7,11H2,1,3H3,(H2,22,26)/t17-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
3.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276792
PNG
(4-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-diox...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C19H17FN8O2S/c1-19(9-31(29,30)28(3)18(21)27-19)13-6-11(4-5-14(13)20)26-17-16-15(24-10-25-17)7-12(22-2)8-23-16/h4-8,10H,9H2,1,3H3,(H2,21,27)(H,24,25,26)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
3.20n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276792
PNG
(4-({4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-diox...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C19H17FN8O2S/c1-19(9-31(29,30)28(3)18(21)27-19)13-6-11(4-5-14(13)20)26-17-16-15(24-10-25-17)7-12(22-2)8-23-16/h4-8,10H,9H2,1,3H3,(H2,21,27)(H,24,25,26)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
3.20n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276794
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2n1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)12-8-11(4-5-13(12)20)24-17-16-14(6-7-22-17)25-15(30-3)9-23-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,24)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
3.5n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276799
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(9-31(28,29)27(2)18(21)26-19)13-6-11(4-5-14(13)20)25-17-16-15(23-10-24-17)7-12(30-3)8-22-16/h4-8,10H,9H2,1-3H3,(H2,21,26)(H,23,24,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
4.30n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276799
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(9-31(28,29)27(2)18(21)26-19)13-6-11(4-5-14(13)20)25-17-16-15(23-10-24-17)7-12(30-3)8-22-16/h4-8,10H,9H2,1-3H3,(H2,21,26)(H,23,24,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
4.30n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276799
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(9-31(28,29)27(2)18(21)26-19)13-6-11(4-5-14(13)20)25-17-16-15(23-10-24-17)7-12(30-3)8-22-16/h4-8,10H,9H2,1-3H3,(H2,21,26)(H,23,24,25)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
4.40n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276790
PNG
(N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)13-7-15(23-9-14(13)20)25-17-16-11(4-5-22-17)6-12(30-3)8-24-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,23,25)/t19-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
4.5n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276797
PNG
(2-(difluoromethyl)-N-{4-fluoro-3-[(5R)-3-imino-2,5...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)F)ccc1F
Show InChI InChI=1S/C19H18F3N7O2S/c1-19(9-32(30,31)29(2)18(23)28-19)11-7-10(3-4-12(11)20)26-17-15-13(5-6-24-17)27-14(8-25-15)16(21)22/h3-8,16H,9H2,1-2H3,(H2,23,28)(H,24,26)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
5.20n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276797
PNG
(2-(difluoromethyl)-N-{4-fluoro-3-[(5R)-3-imino-2,5...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)F)ccc1F
Show InChI InChI=1S/C19H18F3N7O2S/c1-19(9-32(30,31)29(2)18(23)28-19)11-7-10(3-4-12(11)20)26-17-15-13(5-6-24-17)27-14(8-25-15)16(21)22/h3-8,16H,9H2,1-2H3,(H2,23,28)(H,24,26)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
5.20n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276789
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1
Show InChI InChI=1S/C20H21FN6O3S/c1-20(11-31(28,29)27(2)19(22)26-20)15-9-13(4-5-16(15)21)25-18-17-12(6-7-23-18)8-14(30-3)10-24-17/h4-10H,11H2,1-3H3,(H2,22,26)(H,23,25)/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
5.80n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276795
PNG
(N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1
Show InChI InChI=1S/C18H19FN8O3S/c1-18(8-31(28,29)27(2)17(20)26-18)11-5-14(21-7-12(11)19)25-16-15-13(23-9-24-16)4-10(30-3)6-22-15/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,21,23,24,25)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
6.90n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276802
PNG
((R)-5-(5-(((S)-5-chloro-2,3-dihydro-1H-inden-1-yl)...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(Cl)ccc23)ccc1F
Show InChI InChI=1S/C20H22ClFN4O2S/c1-20(11-29(27,28)26(2)19(23)25-20)16-10-14(5-7-17(16)22)24-18-8-3-12-9-13(21)4-6-15(12)18/h4-7,9-10,18,24H,3,8,11H2,1-2H3,(H2,23,25)/t18-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
10.2n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276798
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2n1
Show InChI InChI=1S/C18H19FN8O3S/c1-18(8-31(28,29)27(2)17(20)26-18)11-6-10(4-5-12(11)19)24-15-14-16(23-9-22-15)25-13(30-3)7-21-14/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,22,23,24,25)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
10.6n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276789
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1
Show InChI InChI=1S/C20H21FN6O3S/c1-20(11-31(28,29)27(2)19(22)26-20)15-9-13(4-5-16(15)21)25-18-17-12(6-7-23-18)8-14(30-3)10-24-17/h4-10H,11H2,1-3H3,(H2,22,26)(H,23,25)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
11.7n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276789
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1
Show InChI InChI=1S/C20H21FN6O3S/c1-20(11-31(28,29)27(2)19(22)26-20)15-9-13(4-5-16(15)21)25-18-17-12(6-7-23-18)8-14(30-3)10-24-17/h4-10H,11H2,1-3H3,(H2,22,26)(H,23,25)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
12n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276798
PNG
(N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2n1
Show InChI InChI=1S/C18H19FN8O3S/c1-18(8-31(28,29)27(2)17(20)26-18)11-6-10(4-5-12(11)19)24-15-14-16(23-9-22-15)25-13(30-3)7-21-14/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,22,23,24,25)/t18-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
15.4n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276790
PNG
(N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1
Show InChI InChI=1S/C19H20FN7O3S/c1-19(10-31(28,29)27(2)18(21)26-19)13-7-15(23-9-14(13)20)25-17-16-11(4-5-22-17)6-12(30-3)8-24-16/h4-9H,10H2,1-3H3,(H2,21,26)(H,22,23,25)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
16.2n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276802
PNG
((R)-5-(5-(((S)-5-chloro-2,3-dihydro-1H-inden-1-yl)...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(Cl)ccc23)ccc1F
Show InChI InChI=1S/C20H22ClFN4O2S/c1-20(11-29(27,28)26(2)19(23)25-20)16-10-14(5-7-17(16)22)24-18-8-3-12-9-13(21)4-6-15(12)18/h4-7,9-10,18,24H,3,8,11H2,1-2H3,(H2,23,25)/t18-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
16.6n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276795
PNG
(N-{5-fluoro-4-[(5R)-3-imino-2,5-dimethyl-1,1-dioxi...)
Show SMILES COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1
Show InChI InChI=1S/C18H19FN8O3S/c1-18(8-31(28,29)27(2)17(20)26-18)11-5-14(21-7-12(11)19)25-16-15-13(23-9-24-16)4-10(30-3)6-22-15/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,21,23,24,25)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
19.3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276803
PNG
((S)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-d...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H21FN6O2S/c1-20(11-30(28,29)27(3)19(22)26-20)15-9-13(5-6-16(15)21)25-17-7-4-12-8-14(23-2)10-24-18(12)17/h5-6,8-10,17,25H,4,7,11H2,1,3H3,(H2,22,26)/t17-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
22.3n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276813
PNG
(WO2011044181, Example 166)
Show SMILES COc1cccnc1Nc1cc(ccn1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C16H20N6O3S/c1-16(10-26(23,24)22(2)15(17)21-16)11-6-8-18-13(9-11)20-14-12(25-3)5-4-7-19-14/h4-9H,10H2,1-3H3,(H2,17,21)(H,18,19,20)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
41n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276800
PNG
((R)-5-(5-(((R)-3-chloro-6,7-dihydro-5H-cyc1openta[...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(Cl)cc23)ccc1F
Show InChI InChI=1S/C19H21ClFN5O2S/c1-19(10-29(27,28)26(2)18(22)25-19)14-8-12(3-4-15(14)21)24-17-6-5-16-13(17)7-11(20)9-23-16/h3-4,7-9,17,24H,5-6,10H2,1-2H3,(H2,22,25)/t17-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
41.2n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276806
PNG
(WO2011044181, Example 103)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2cccc3OC(F)(F)Oc23)ccc1F
Show InChI InChI=1S/C18H17F3N4O4S/c1-17(9-30(26,27)25(2)16(22)24-17)11-8-10(6-7-12(11)19)23-13-4-3-5-14-15(13)29-18(20,21)28-14/h3-8,23H,9H2,1-2H3,(H2,22,24)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
42n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276804
PNG
((R)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-d...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H21FN6O2S/c1-20(11-30(28,29)27(3)19(22)26-20)15-9-13(5-6-16(15)21)25-17-7-4-12-8-14(23-2)10-24-18(12)17/h5-6,8-10,17,25H,4,7,11H2,1,3H3,(H2,22,26)/t17-,20+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
42.6n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276805
PNG
((R)-5-(5-(((S)-3-bromo-5,6,7,8-tetrahydroquinolin-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C20H23BrFN5O2S/c1-20(11-30(28,29)27(2)19(23)26-20)15-9-14(6-7-16(15)22)25-17-5-3-4-12-8-13(21)10-24-18(12)17/h6-10,17,25H,3-5,11H2,1-2H3,(H2,23,26)/t17-,20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
43.1n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276812
PNG
(WO2011044181, Example 165)
Show SMILES COc1cccnc1Nc1ccnc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C16H20N6O3S/c1-16(10-26(23,24)22(2)15(17)21-16)13-9-11(6-8-18-13)20-14-12(25-3)5-4-7-19-14/h4-9H,10H2,1-3H3,(H2,17,21)(H,18,19,20)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
48n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276801
PNG
((R)-5-(2-fluoro-5-(((R)-3-(trifluoromethyl)-6,7-di...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(cc23)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H21F4N5O2S/c1-19(10-32(30,31)29(2)18(25)28-19)14-8-12(3-4-15(14)21)27-17-6-5-16-13(17)7-11(9-26-16)20(22,23)24/h3-4,7-9,17,27H,5-6,10H2,1-2H3,(H2,25,28)/t17-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
57.3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276807
PNG
(WO2011044181, Example 103a)
Show SMILES COc1ccccc1Nc1cccc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C18H22N4O3S/c1-18(12-26(23,24)22(2)17(19)21-18)13-7-6-8-14(11-13)20-15-9-4-5-10-16(15)25-3/h4-11,20H,12H2,1-3H3,(H2,19,21)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
69n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276804
PNG
((R)-7-((4-fluoro-3-((R)-3-imino-2,5-dimethyl-1,1-d...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F
Show InChI InChI=1S/C20H21FN6O2S/c1-20(11-30(28,29)27(3)19(22)26-20)15-9-13(5-6-16(15)21)25-17-7-4-12-8-14(23-2)10-24-18(12)17/h5-6,8-10,17,25H,4,7,11H2,1,3H3,(H2,22,26)/t17-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
81n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276800
PNG
((R)-5-(5-(((R)-3-chloro-6,7-dihydro-5H-cyc1openta[...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(Cl)cc23)ccc1F
Show InChI InChI=1S/C19H21ClFN5O2S/c1-19(10-29(27,28)26(2)18(22)25-19)14-8-12(3-4-15(14)21)24-17-6-5-16-13(17)7-11(20)9-23-16/h3-4,7-9,17,24H,5-6,10H2,1-2H3,(H2,22,25)/t17-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
124n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276805
PNG
((R)-5-(5-(((S)-3-bromo-5,6,7,8-tetrahydroquinolin-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F
Show InChI InChI=1S/C20H23BrFN5O2S/c1-20(11-30(28,29)27(2)19(23)26-20)15-9-14(6-7-16(15)22)25-17-5-3-4-12-8-13(21)10-24-18(12)17/h6-10,17,25H,3-5,11H2,1-2H3,(H2,23,26)/t17-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
128n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276801
PNG
((R)-5-(2-fluoro-5-(((R)-3-(trifluoromethyl)-6,7-di...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(cc23)C(F)(F)F)ccc1F
Show InChI InChI=1S/C20H21F4N5O2S/c1-19(10-32(30,31)29(2)18(25)28-19)14-8-12(3-4-15(14)21)27-17-6-5-16-13(17)7-11(9-26-16)20(22,23)24/h3-4,7-9,17,27H,5-6,10H2,1-2H3,(H2,25,28)/t17-,19+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
242n/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-EISEV...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276814
PNG
(WO2011044181, Example 167)
Show SMILES COc1ccccc1Nc1cc(ccn1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H21N5O3S/c1-17(11-26(23,24)22(2)16(18)21-17)12-8-9-19-15(10-12)20-13-6-4-5-7-14(13)25-3/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
344n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276811
PNG
(WO2011044181, Example 164)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2ncccc2C#N)n1
Show InChI InChI=1S/C16H17N7O2S/c1-16(10-26(24,25)23(2)15(18)22-16)12-6-3-7-13(20-12)21-14-11(9-17)5-4-8-19-14/h3-8H,10H2,1-2H3,(H2,18,22)(H,19,20,21)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
508n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276808
PNG
(WO2011044181, Example 103b)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2ccccc2C#N)n1
Show InChI InChI=1S/C17H18N6O2S/c1-17(11-26(24,25)23(2)16(19)22-17)14-8-5-9-15(21-14)20-13-7-4-3-6-12(13)10-18/h3-9H,11H2,1-2H3,(H2,19,22)(H,20,21)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
514n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276812
PNG
(WO2011044181, Example 165)
Show SMILES COc1cccnc1Nc1ccnc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C16H20N6O3S/c1-16(10-26(23,24)22(2)15(17)21-16)13-9-11(6-8-18-13)20-14-12(25-3)5-4-7-19-14/h4-9H,10H2,1-3H3,(H2,17,21)(H,18,19,20)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
2.59E+3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276809
PNG
(WO2011044181, Example 162)
Show SMILES COc1ccccc1Nc1cccc(n1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1
Show InChI InChI=1S/C17H21N5O3S/c1-17(11-26(23,24)22(2)16(18)21-17)14-9-6-10-15(20-14)19-12-7-4-5-8-13(12)25-3/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20)/t17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
3.76E+3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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


(Homo sapiens (Human))
BDBM276810
PNG
(WO2011044181, Example 163)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2cccc3OC(F)(F)Oc23)n1
Show InChI InChI=1S/C17H17F2N5O4S/c1-16(9-29(25,26)24(2)15(20)23-16)12-7-4-8-13(22-12)21-10-5-3-6-11-14(10)28-17(18,19)27-11/h3-8H,9H2,1-2H3,(H2,20,23)(H,21,22)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
4.70E+3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...


US Patent US10071998 (2018)

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