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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'tang-liu' and Initial = 'dd'   
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))
BDBM476688
PNG
((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 12n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent as...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM476692
PNG
((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1
PDB

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n/an/a 16n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent as...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476679
PNG
((S)-6-(8-(3-Hydroxyprop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CCO |r|
Show InChI InChI=1S/C21H19N3O2S/c1-21(12-19(26)24(2)20(22)23-21)14-6-8-18-16(11-14)15-10-13(4-3-9-25)5-7-17(15)27-18/h5-8,10-11,25H,9,12H2,1-2H3,(H2,22,23)/t21-/m0/s1
PDB
MMDB

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n/an/a 17n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476666
PNG
((S)-6-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H18FN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1
PDB
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n/an/a 21n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM476661
PNG
((S)-6-(3-Chloro-5-(prop-1-yn-1-yl)- 1H-indol-2-yl)...)
Show SMILES CC#Cc1ccc2[nH]c(c(Cl)c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
PDB

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n/an/a 24n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent as...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476692
PNG
((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1
PDB
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n/an/a 25n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476692
PNG
((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1
PDB
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n/an/a 25n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476660
PNG
((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1
PDB
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n/an/a 26n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476660
PNG
((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1
PDB
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n/an/a 26n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476688
PNG
((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1
PDB
MMDB

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n/an/a 39n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476688
PNG
((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1
PDB
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n/an/a 39n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476688
PNG
((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1
PDB
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n/an/a 39n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476694
PNG
((S)-6-(3-Chloro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(Cl)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H18ClN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1
PDB
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n/an/a 44n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476661
PNG
((S)-6-(3-Chloro-5-(prop-1-yn-1-yl)- 1H-indol-2-yl)...)
Show SMILES CC#Cc1ccc2[nH]c(c(Cl)c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
PDB
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n/an/a 44n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476673
PNG
((6S)-2-Imino-3,6-dimethyl-6-(5-oxido-8- (prop-1-yn...)
Show SMILES CC#Cc1ccc2c(c1)c1cc(ccc1s2=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H19N3O2S/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)27(17)26)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-,27?/m0/s1
PDB
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n/an/a 48n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476682
PNG
((S)-6-(8-Cyclopropyldibenzo[b,d] thiophen-2-yl)-2-...)
Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C1CC1 |r|
Show InChI InChI=1S/C21H21N3OS/c1-21(11-19(25)24(2)20(22)23-21)14-6-8-18-16(10-14)15-9-13(12-3-4-12)5-7-17(15)26-18/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23)/t21-/m0/s1
PDB
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n/an/a 78n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476685
PNG
((S)-2-Imino-3,6-dimethyl-6-(8-(trifluoro- methyl)d...)
Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H16F3N3OS/c1-18(9-16(26)25(2)17(23)24-18)10-3-5-14-12(7-10)13-8-11(19(20,21)22)4-6-15(13)27-14/h3-8H,9H2,1-2H3,(H2,23,24)/t18-/m0/s1
PDB
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n/an/a 81n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476670
PNG
((S)-6-(5,5-Dioxido-8-(prop-1-yn-1-yl) dibenzo[b,d]...)
Show SMILES CC#Cc1ccc2c(c1)-c1cc(ccc1S2(=O)=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H19N3O3S/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)28(17,26)27)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1
PDB
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n/an/a 87n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476687
PNG
((R)-5,5-Difluoro-4-methyl-4-(8-(prop- 1-yn-1-yl)di...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@@]1(C)NC(=N)OCC1(F)F |r|
Show InChI InChI=1S/C20H16F2N2OS/c1-3-4-12-5-7-16-14(9-12)15-10-13(6-8-17(15)26-16)19(2)20(21,22)11-25-18(23)24-19/h5-10H,11H2,1-2H3,(H2,23,24)/t19-/m1/s1
PDB
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n/an/a 202n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476678
PNG
((S)-2-Imino-6-(8-(3-methoxyprop-1- yn-1-yl)dibenzo...)
Show SMILES COCC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H21N3O2S/c1-22(13-20(26)25(2)21(23)24-22)15-7-9-19-17(12-15)16-11-14(5-4-10-27-3)6-8-18(16)28-19/h6-9,11-12H,10,13H2,1-3H3,(H2,23,24)/t22-/m0/s1
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n/an/a 218n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476693
PNG
((R)-3-Imino-1,5-dimethyl-5-(8-(prop- 1-yn-1-yl)dib...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CN(C)C(=O)C(=N)N1 |r|
Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-24(3)20(25)19(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1
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n/an/a>300n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476691
PNG
((S)-2-Imino-3-(2-methoxyethyl)-6- methyl-6-(8-(pro...)
Show SMILES COCCN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CC |r|
Show InChI InChI=1S/C23H23N3O2S/c1-4-5-15-6-8-19-17(12-15)18-13-16(7-9-20(18)29-19)23(2)14-21(27)26(10-11-28-3)22(24)25-23/h6-9,12-13H,10-11,14H2,1-3H3,(H2,24,25)/t23-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476690
PNG
((S)-3-(2,2-Difluoroethyl)-2-imino-6- methyl-6-(8-(...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(CC(F)F)C(=N)N1 |r|
Show InChI InChI=1S/C22H19F2N3OS/c1-3-4-13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)22(2)11-20(28)27(12-19(23)24)21(25)26-22/h5-10,19H,11-12H2,1-2H3,(H2,25,26)/t22-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476689
PNG
((R)-3-Imino-2,5-dimethyl-5-(8-(prop- 1-yn-1-yl)dib...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C20H19N3O2S2/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)20(2)12-27(24,25)23(3)19(21)22-20/h6-11H,12H2,1-3H3,(H2,21,22)/t20-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476684
PNG
((S)-6-(8-(Diethylamino)dibenzo[b,d] thiophen-2-yl)...)
Show SMILES CCN(CC)c1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H26N4OS/c1-5-26(6-2)15-8-10-19-17(12-15)16-11-14(7-9-18(16)28-19)22(3)13-20(27)25(4)21(23)24-22/h7-12H,5-6,13H2,1-4H3,(H2,23,24)/t22-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476683
PNG
((S)-8-(2-Imino-1,4-dimethyl-6- oxohexahydropyrimid...)
Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(N)=O |r|
Show InChI InChI=1S/C19H18N4O2S/c1-19(9-16(24)23(2)18(21)22-19)11-4-6-15-13(8-11)12-7-10(17(20)25)3-5-14(12)26-15/h3-8H,9H2,1-2H3,(H2,20,25)(H2,21,22)/t19-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476681
PNG
((S)-2-Imino-3,6-dimethyl-6-(8-propyl- dibenzo[b,d]...)
Show SMILES CCCc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H23N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,4-5,12H2,1-3H3,(H2,22,23)/t21-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476680
PNG
((S)-6-(8-Bromodibenzo[b,d]thiophen- 2-yl)-2-imino-...)
Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(Br)cc3c2c1 |r|
Show InChI InChI=1S/C18H16BrN3OS/c1-18(9-16(23)22(2)17(20)21-18)10-3-5-14-12(7-10)13-8-11(19)4-6-15(13)24-14/h3-8H,9H2,1-2H3,(H2,20,21)/t18-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476677
PNG
((S)-8-(2-Imino-1,4-dimethyl-6- oxohexahydropyrimid...)
Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#N |r|
Show InChI InChI=1S/C19H16N4OS/c1-19(9-17(24)23(2)18(21)22-19)12-4-6-16-14(8-12)13-7-11(10-20)3-5-15(13)25-16/h3-8H,9H2,1-2H3,(H2,21,22)/t19-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476676
PNG
((S)-6-(9,9-Difluoro-6-(prop-1-yn-1-yl)- 9H-fluoren...)
Show SMILES CC#Cc1ccc2c(c1)-c1cc(ccc1C2(F)F)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H19F2N3O/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)22(17,23)24)21(2)12-19(28)27(3)20(25)26-21/h6-11H,12H2,1-3H3,(H2,25,26)/t21-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476675
PNG
((S)-6-(9,9-Dimethyl-6-(prop-1-yn-1-yl)- 9H-fluoren...)
Show SMILES CC#Cc1ccc2c(c1)-c1cc(ccc1C2(C)C)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C24H25N3O/c1-6-7-15-8-10-19-17(12-15)18-13-16(9-11-20(18)23(19,2)3)24(4)14-21(28)27(5)22(25)26-24/h8-13H,14H2,1-5H3,(H2,25,26)/t24-/m0/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM476686
PNG
((R)-6-Cyclopropyl-2-imino-3-methyl- 6-(8-(prop-1-y...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@@]1(CC(=O)N(C)C(=N)N1)C1CC1 |r|
Show InChI InChI=1S/C23H21N3OS/c1-3-4-14-5-9-19-17(11-14)18-12-16(8-10-20(18)28-19)23(15-6-7-15)13-21(27)26(2)22(24)25-23/h5,8-12,15H,6-7,13H2,1-2H3,(H2,24,25)/t23-/m1/s1
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ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM476694
PNG
((S)-6-(3-Chloro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(Cl)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H18ClN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Cathepsin D (Cat D) is a major intercellular member of the mammalian aspartic proteinase family and is thought to be in the normal degradation of int...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM476692
PNG
((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...)
Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Cathepsin D (Cat D) is a major intercellular member of the mammalian aspartic proteinase family and is thought to be in the normal degradation of int...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM476660
PNG
((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Cathepsin D (Cat D) is a major intercellular member of the mammalian aspartic proteinase family and is thought to be in the normal degradation of int...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM476688
PNG
((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...)
Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



ALLGENESIS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Cathepsin D (Cat D) is a major intercellular member of the mammalian aspartic proteinase family and is thought to be in the normal degradation of int...


US Patent US10870635 (2020)


BindingDB Entry DOI: 10.7270/Q2474DXV
More data for this
Ligand-Target Pair