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Found 730 hits Enz. Inhib. hit(s) with Target = 'Beta-amyloid protein 40'   
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 amyloid A4 protein


(Homo sapiens (human))
BDBM93325
PNG
(Carbamate {3,21}, 1)
Show SMILES OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C31H41F3N4O6S/c32-23-4-1-3-22(19-23)28-5-2-6-29(38(28)21-45(42,43)25-7-8-26(33)27(34)20-25)31(11-12-31)44-30(41)35-37-13-9-24(10-14-37)36(15-17-39)16-18-40/h1,3-4,7-8,19-20,24,28-29,39-40H,2,5-6,9-18,21H2,(H,35,41)/t28?,29-/m1/s1
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n/an/a 4.90n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM250505
PNG
(US9464103, (6aR,7S,10aS)-10a-(4-chlorobenzenesulfo...)
Show SMILES CP1(=O)OCC[C@]2(CCC[C@@]3([C@H]2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)CO1
Show InChI InChI=1S/C23H24ClF2O6PS/c1-33(27)31-12-11-22(14-32-33)9-2-10-23(34(28,29)16-5-3-15(24)4-6-16)19(22)13-30-21-18(26)8-7-17(25)20(21)23/h3-8,19H,2,9-14H2,1H3/t19-,22+,23-,33?/m0/s1
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US Patent
n/an/a 5.40n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM93327
PNG
(Carbamate {5,21}, 3)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N(CCO)CCO)c1cccc(F)c1
Show InChI InChI=1S/C32H44F2N4O6S/c1-23-8-9-27(21-28(23)34)45(42,43)22-38-29(24-4-2-5-25(33)20-24)6-3-7-30(38)32(12-13-32)44-31(41)35-37-14-10-26(11-15-37)36(16-18-39)17-19-40/h2,4-5,8-9,20-21,26,29-30,39-40H,3,6-7,10-19,22H2,1H3,(H,35,41)/t29?,30-/m1/s1
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n/an/a 7.20n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM93328
PNG
(Carbamate {3,17}, 4)
Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C32H41F3N4O4S/c33-24-7-4-6-23(20-24)29-10-5-11-30(39(29)22-44(41,42)26-12-13-27(34)28(35)21-26)32(14-15-32)43-31(40)36-38-18-16-37(17-19-38)25-8-2-1-3-9-25/h4,6-7,12-13,20-21,25,29-30H,1-3,5,8-11,14-19,22H2,(H,36,40)/t29?,30-/m1/s1
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n/an/a 7.30n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM93329
PNG
(Carbamate {5,19}, 5)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1)c1cccc(F)c1
Show InChI InChI=1S/C32H42F2N4O4S/c1-23-10-11-27(21-28(23)34)43(40,41)22-38-29(24-6-4-7-25(33)20-24)8-5-9-30(38)32(14-15-32)42-31(39)35-37-18-12-26(13-19-37)36-16-2-3-17-36/h4,6-7,10-11,20-21,26,29-30H,2-3,5,8-9,12-19,22H2,1H3,(H,35,39)/t29?,30-/m1/s1
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n/an/a 7.5n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM93330
PNG
(Carbamate {1,21}, 6)
Show SMILES OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C31H42F2N4O6S/c32-24-5-1-4-23(20-24)28-8-3-9-29(37(28)22-44(41,42)27-7-2-6-25(33)21-27)31(12-13-31)43-30(40)34-36-14-10-26(11-15-36)35(16-18-38)17-19-39/h1-2,4-7,20-21,26,28-29,38-39H,3,8-19,22H2,(H,34,40)/t28?,29-/m1/s1
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n/an/a 8.20n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM93331
PNG
(Carbamate {3,13}, 7)
Show SMILES OCCN1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H35F3N4O5S/c29-21-4-1-3-20(17-21)25-5-2-6-26(35(25)19-41(38,39)22-7-8-23(30)24(31)18-22)28(9-10-28)40-27(37)32-34-13-11-33(12-14-34)15-16-36/h1,3-4,7-8,17-18,25-26,36H,2,5-6,9-16,19H2,(H,32,37)/t25?,26-/m1/s1
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n/an/a 9.80n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM93326
PNG
(Carbamate {3,19}, 2)
Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C31H39F3N4O4S/c32-23-6-3-5-22(19-23)28-7-4-8-29(38(28)21-43(40,41)25-9-10-26(33)27(34)20-25)31(13-14-31)42-30(39)35-37-17-11-24(12-18-37)36-15-1-2-16-36/h3,5-6,9-10,19-20,24,28-29H,1-2,4,7-8,11-18,21H2,(H,35,39)/t28?,29-/m1/s1
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n/an/a 6.10n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM250504
PNG
(US9464103, (6'S,6aR,7s,10aS)-1,4-difluoro-6'-methy...)
Show SMILES C[P@]1(=O)OC[C@]2(CCC[C@@]3([C@H]2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CO1
Show InChI InChI=1S/C23H22F5O6PS/c1-35(29)33-12-21(13-34-35)9-2-10-22(18(21)11-32-20-17(25)8-7-16(24)19(20)22)36(30,31)15-5-3-14(4-6-15)23(26,27)28/h3-8,18H,2,9-13H2,1H3/t18-,21-,22-,35+/m0/s1
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US Patent
n/an/a 79n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM250503
PNG
(US9464103, (6'R,6aR,7r,10aS)-1,4-difluoro-6'-methy...)
Show SMILES C[P@@]1(=O)OC[C@]2(CCC[C@@]3([C@H]2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CO1
Show InChI InChI=1S/C23H22F5O6PS/c1-35(29)33-12-21(13-34-35)9-2-10-22(18(21)11-32-20-17(25)8-7-16(24)19(20)22)36(30,31)15-5-3-14(4-6-15)23(26,27)28/h3-8,18H,2,9-13H2,1H3/t18-,21-,22-,35-/m0/s1
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US Patent
n/an/a 397n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM250502
PNG
(US9464103, (6'R,6aR,7r,10aS)-10a-(4-chlorobenz...)
Show SMILES C[P@@]1(=O)OC[C@]2(CCC[C@@]3([C@H]2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)CO1
Show InChI InChI=1S/C22H22ClF2O6PS/c1-32(26)30-12-21(13-31-32)9-2-10-22(33(27,28)15-5-3-14(23)4-6-15)18(21)11-29-20-17(25)8-7-16(24)19(20)22/h3-8,18H,2,9-13H2,1H3/t18-,21-,22-,32-/m0/s1
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US Patent
n/an/a 421n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM250501
PNG
(US9464103, (6'S,6aR,7s,10aS)-10a-(4-chlorobenz...)
Show SMILES C[P@]1(=O)OC[C@]2(CCC[C@@]3([C@H]2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)CO1
Show InChI InChI=1S/C22H22ClF2O6PS/c1-32(26)30-12-21(13-31-32)9-2-10-22(33(27,28)15-5-3-14(23)4-6-15)18(21)11-29-20-17(25)8-7-16(24)19(20)22/h3-8,18H,2,9-13H2,1H3/t18-,21-,22-,32+/m0/s1
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n/an/a 9.5n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129272
PNG
(CHEMBL3629743 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Show SMILES Fc1ccc(F)c2c1OCC1[C@@]3(CCN(C3)S(=O)(=O)C(F)(F)F)CCCC21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClF5NO5S2/c24-14-2-4-15(5-3-14)36(31,32)22-9-1-8-21(10-11-30(13-21)37(33,34)23(27,28)29)18(22)12-35-20-17(26)7-6-16(25)19(20)22/h2-7,18H,1,8-13H2/t18?,21-,22?/m1/s1
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n/an/a 23.3n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129271
PNG
(CHEMBL3629741 | US9464103, (6aR,10aS)-10a-(4-chlor...)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1C3(CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)CCS(=O)(=O)CC3
Show InChI InChI=1S/C23H23ClF2O5S2/c24-15-2-4-16(5-3-15)33(29,30)23-9-1-8-22(10-12-32(27,28)13-11-22)19(23)14-31-21-18(26)7-6-17(25)20(21)23/h2-7,19H,1,8-14H2/t19-,23-/m0/s1
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n/an/a 57.7n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129278
PNG
(CHEMBL3629742 | US9464103, (6aR,10aS)-10a-(4-chlor...)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1C3(CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)CCSCC3
Show InChI InChI=1S/C23H23ClF2O3S2/c24-15-2-4-16(5-3-15)31(27,28)23-9-1-8-22(10-12-30-13-11-22)19(23)14-29-21-18(26)7-6-17(25)20(21)23/h2-7,19H,1,8-14H2/t19-,23-/m0/s1
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n/an/a 26.4n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129270
PNG
(CHEMBL3629740 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@@]3(CCOC3=O)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClF2O5S/c23-13-2-4-14(5-3-13)31(27,28)22-9-1-8-21(10-11-29-20(21)26)17(22)12-30-19-16(25)7-6-15(24)18(19)22/h2-7,17H,1,8-12H2/t17-,21-,22-/m0/s1
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n/an/a 228n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129269
PNG
(CHEMBL3629738 | US9464103, (6aR,7S,10aS)-10a-(4-ch...)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21ClF2O4S/c23-14-2-4-15(5-3-14)30(26,27)22-9-1-8-21(10-11-28-13-21)18(22)12-29-20-17(25)7-6-16(24)19(20)22/h2-7,18H,1,8-13H2/t18-,21-,22-/m0/s1
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n/an/a 13.9n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129277
PNG
(CHEMBL3629739 | US9464103, (6aR,10aS)-10a-(4-chlor...)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1C3(COC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClF2O4S/c22-13-2-4-14(5-3-13)29(25,26)21-9-1-8-20(11-27-12-20)17(21)10-28-19-16(24)7-6-15(23)18(19)21/h2-7,17H,1,8-12H2/t17-,21-/m0/s1
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n/an/a 10.1n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta-amyloid protein 40


(Homo sapiens (Human))
BDBM50129276
PNG
(CHEMBL3629737 | US9464103, (6aR,10aS)-10a-(4-chlor...)
Show SMILES CC1(C)OCC2(CCC[C@@]3([C@H]2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)CO1
Show InChI InChI=1S/C24H25ClF2O5S/c1-22(2)31-13-23(14-32-22)10-3-11-24(33(28,29)16-6-4-15(25)5-7-16)19(23)12-30-21-18(27)9-8-17(26)20(21)24/h4-9,19H,3,10-14H2,1-2H3/t19-,24-/m0/s1
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US Patent
n/an/a 66.6n/an/an/an/a7.0n/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9464103 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0STQ
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200315
PNG
(US9226927, 27b)
Show SMILES Nc1ncccc1S(=O)(=O)CC[C@@H]1OCC[C@@]2(C1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClF2N2O6S2/c26-15-3-5-16(6-4-15)38(33,34)25-10-12-35-20(9-13-37(31,32)21-2-1-11-30-24(21)29)17(25)14-36-23-19(28)8-7-18(27)22(23)25/h1-8,11,17,20H,9-10,12-14H2,(H2,29,30)/t17?,20-,25-/m0/s1
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n/an/a 18n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200314
PNG
(US9226927, 27a)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccc[nH]c3=O)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF2NO7S2/c26-15-3-5-16(6-4-15)38(33,34)25-10-12-35-20(9-13-37(31,32)21-2-1-11-29-24(21)30)17(25)14-36-23-19(28)8-7-18(27)22(23)25/h1-8,11,17,20H,9-10,12-14H2,(H,29,30)/t17?,20-,25-/m0/s1
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n/an/a 2.80n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200313
PNG
(US9226927, 25h)
Show SMILES COc1ccc(cn1)S(=O)(=O)CC[C@@H]1OCC[C@@]2(C1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClF2NO7S2/c1-35-23-9-6-18(14-30-23)38(31,32)13-10-22-19-15-37-25-21(29)8-7-20(28)24(25)26(19,11-12-36-22)39(33,34)17-4-2-16(27)3-5-17/h2-9,14,19,22H,10-13,15H2,1H3/t19?,22-,26-/m0/s1
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n/an/a 16.5n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200312
PNG
(US9226927, 25g)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cncnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-8-9-34-21(7-10-36(30,31)17-11-28-14-29-12-17)18(24)13-35-23-20(27)6-5-19(26)22(23)24/h1-6,11-12,14,18,21H,7-10,13H2/t18?,21-,24-/m0/s1
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n/an/a 12.9n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200311
PNG
(US9226927, 25f)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccncn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-9-11-34-20(8-12-36(30,31)21-7-10-28-14-29-21)17(24)13-35-23-19(27)6-5-18(26)22(23)24/h1-7,10,14,17,20H,8-9,11-13H2/t17?,20-,24-/m0/s1
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n/an/a 2.90n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200310
PNG
(US9226927, 25e)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ncccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-2-4-16(5-3-15)37(32,33)24-9-12-34-20(8-13-36(30,31)23-28-10-1-11-29-23)17(24)14-35-22-19(27)7-6-18(26)21(22)24/h1-7,10-11,17,20H,8-9,12-14H2/t17?,20-,24-/m0/s1
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n/an/a 6.40n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200309
PNG
(US9226927, 25d)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccnnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-9-11-34-21(8-12-36(30,31)17-7-10-28-29-13-17)18(24)14-35-23-20(27)6-5-19(26)22(23)24/h1-7,10,13,18,21H,8-9,11-12,14H2/t18?,21-,24-/m0/s1
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n/an/a 10.2n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200308
PNG
(US9226927, 25c)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cnccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-1-3-16(4-2-15)37(32,33)24-8-11-34-20(7-12-36(30,31)21-13-28-9-10-29-21)17(24)14-35-23-19(27)6-5-18(26)22(23)24/h1-6,9-10,13,17,20H,7-8,11-12,14H2/t17?,20-,24-/m0/s1
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n/an/a 5.5n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200307
PNG
(US9226927, 25b)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cccnn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClF2N2O6S2/c25-15-3-5-16(6-4-15)37(32,33)24-10-12-34-20(9-13-36(30,31)21-2-1-11-28-29-21)17(24)14-35-23-19(27)8-7-18(26)22(23)24/h1-8,11,17,20H,9-10,12-14H2/t17?,20-,24-/m0/s1
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n/an/a 4.5n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200306
PNG
(US9226927, 25a)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccc(=O)[nH]c3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClF2NO7S2/c26-15-1-3-16(4-2-15)38(33,34)25-10-11-35-21(9-12-37(31,32)17-5-8-22(30)29-13-17)18(25)14-36-24-20(28)7-6-19(27)23(24)25/h1-8,13,18,21H,9-12,14H2,(H,29,30)/t18?,21-,25-/m0/s1
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n/an/a 18.7n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162703
PNG
(US9056857, 5)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@H]3NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C25H22ClF3N2O3S2/c26-21-9-10-22(35-21)36(33,34)31-23-16-1-2-17(23)12-18-13-20(8-5-15(18)11-16)30-24(32)14-3-6-19(7-4-14)25(27,28)29/h3-10,13,16-17,23,31H,1-2,11-12H2,(H,30,32)/t16-,17+,23+/m0/s1
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n/an/a 1.00E+3n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162704
PNG
(US9056857, 11)
Show SMILES FC(F)(F)c1ccc(CC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C26H24ClF3N2O3S2/c27-22-9-10-24(36-22)37(34,35)32-25-17-3-4-18(25)13-19-14-21(8-5-16(19)12-17)31-23(33)11-15-1-6-20(7-2-15)26(28,29)30/h1-2,5-10,14,17-18,25,32H,3-4,11-13H2,(H,31,33)/t17-,18+,25+/m0/s1
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n/an/a 800n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162705
PNG
(US9056857, 19)
Show SMILES FC(F)(F)c1ccc(c(CCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)c1)C(F)(F)F
Show InChI InChI=1S/C28H25ClF6N2O3S2/c29-23-8-10-25(41-23)42(39,40)37-26-17-1-2-18(26)12-19-14-21(6-3-15(19)11-17)36-24(38)9-4-16-13-20(27(30,31)32)5-7-22(16)28(33,34)35/h3,5-8,10,13-14,17-18,26,37H,1-2,4,9,11-12H2,(H,36,38)/t17-,18+,26+/m0/s1
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n/an/a 6.30E+5n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162706
PNG
(US9056857, 25)
Show SMILES Fc1ccc(OCCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C26H26ClFN2O4S2/c27-23-9-10-25(35-23)36(32,33)30-26-17-1-2-18(26)14-19-15-21(6-3-16(19)13-17)29-24(31)11-12-34-22-7-4-20(28)5-8-22/h3-10,15,17-18,26,30H,1-2,11-14H2,(H,29,31)/t17-,18+,26+/m0/s1
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n/an/a 2.00E+4n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162707
PNG
(US9056857, (trans)-31)
Show SMILES Fc1ccc(\C=C\C(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C26H24ClFN2O3S2/c27-23-10-12-25(34-23)35(32,33)30-26-18-4-5-19(26)14-20-15-22(9-6-17(20)13-18)29-24(31)11-3-16-1-7-21(28)8-2-16/h1-3,6-12,15,18-19,26,30H,4-5,13-14H2,(H,29,31)/b11-3+/t18-,19+,26+/m0/s1
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n/an/a 8.40E+4n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162708
PNG
(US9056857, (trans)-35)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1
Show InChI InChI=1S/C27H24ClF3N2O3S2/c28-23-10-12-25(37-23)38(35,36)33-26-18-4-5-19(26)14-20-15-22(9-6-17(20)13-18)32-24(34)11-3-16-1-7-21(8-2-16)27(29,30)31/h1-3,6-12,15,18-19,26,33H,4-5,13-14H2,(H,32,34)/b11-3+/t18-,19+,26+/m0/s1
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n/an/a 2.00E+5n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM162709
PNG
(US9056857, 165)
Show SMILES CN1c2ccccc2C(=N[C@H](NCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)C1=O)c1ccccc1
Show InChI InChI=1S/C35H34ClN5O4S2/c1-41-28-10-6-5-9-27(28)33(21-7-3-2-4-8-21)39-34(35(41)43)37-20-30(42)38-26-14-13-22-17-23-11-12-24(18-25(22)19-26)32(23)40-47(44,45)31-16-15-29(36)46-31/h2-10,13-16,19,23-24,32,34,37,40H,11-12,17-18,20H2,1H3,(H,38,42)/t23-,24+,32+,34-/m0/s1
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n/an/a 8.00E+5n/an/an/an/a7.0n/a



SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH

US Patent


Assay Description
The assay protocol employed was a modified version of that described in Li et al., 2000, Proc. Nat'l Acad. Sci. USA 97:6183-643, incorporated her...


US Patent US9056857 (2015)


BindingDB Entry DOI: 10.7270/Q2833QS8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200301
PNG
(US9226927, 4)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)CCn3cccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClF2N2O6S2/c26-17-2-4-18(5-3-17)38(33,34)25-9-13-35-22(8-14-37(31,32)15-12-30-11-1-10-29-30)19(25)16-36-24-21(28)7-6-20(27)23(24)25/h1-7,10-11,19,22H,8-9,12-16H2/t19?,22-,25-/m0/s1
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n/an/a 1.40n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200302
PNG
(US9226927, 8a)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ccccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClF2NO6S2/c27-17-4-6-19(7-5-17)38(33,34)26-11-13-35-23(10-14-37(31,32)16-18-3-1-2-12-30-18)20(26)15-36-25-22(29)9-8-21(28)24(25)26/h1-9,12,20,23H,10-11,13-16H2/t20?,23-,26-/m0/s1
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n/an/a 1.90n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200303
PNG
(US9226927, 8b)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3cccnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClF2NO6S2/c27-18-3-5-19(6-4-18)38(33,34)26-10-12-35-23(9-13-37(31,32)16-17-2-1-11-30-14-17)20(26)15-36-25-22(29)8-7-21(28)24(25)26/h1-8,11,14,20,23H,9-10,12-13,15-16H2/t20?,23-,26-/m0/s1
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n/an/a 6.60n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200304
PNG
(US9226927, 11)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ncon3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClF2N2O7S2/c24-14-1-3-15(4-2-14)37(31,32)23-8-9-33-19(7-10-36(29,30)12-20-27-13-35-28-20)16(23)11-34-22-18(26)6-5-17(25)21(22)23/h1-6,13,16,19H,7-12H2/t16?,19-,23-/m0/s1
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n/an/a 1.70n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM200305
PNG
(US9226927, 14)
Show SMILES Cc1nc(CS(=O)(=O)CC[C@@H]2OCC[C@@]3(C2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)no1
Show InChI InChI=1S/C24H23ClF2N2O7S2/c1-14-28-21(29-36-14)13-37(30,31)11-8-20-17-12-35-23-19(27)7-6-18(26)22(23)24(17,9-10-34-20)38(32,33)16-4-2-15(25)3-5-16/h2-7,17,20H,8-13H2,1H3/t17?,20-,24-/m0/s1
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n/an/a 5.80n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145861
PNG
(US8956589, 30)
Show SMILES COC(=O)CCC(C(=O)\C=C\c1ccco1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H19F3O7/c1-30-21(29)11-7-16(18(27)10-6-15-3-2-12-31-15)17(26)8-4-14-5-9-19(28)20(13-14)32-22(23,24)25/h2-6,8-10,12-13,16,28H,7,11H2,1H3/b8-4+,10-6+
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n/an/a 650n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145840
PNG
(US8956589, 23)
Show SMILES Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F
Show InChI InChI=1S/C21H14F6O6/c22-20(23,24)32-18-9-12(3-7-16(18)30)1-5-14(28)11-15(29)6-2-13-4-8-17(31)19(10-13)33-21(25,26)27/h1-10,30-31H,11H2/b5-1+,6-2+
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n/an/a 210n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145859
PNG
(US8956589, 15)
Show SMILES Oc1ccc(\C=C\C(=O)C(CCC#N)C(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F
Show InChI InChI=1S/C24H17F6NO6/c25-23(26,27)36-21-12-14(5-9-19(21)34)3-7-17(32)16(2-1-11-31)18(33)8-4-15-6-10-20(35)22(13-15)37-24(28,29)30/h3-10,12-13,16,34-35H,1-2H2/b7-3+,8-4+
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n/an/a 300n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145858
PNG
(US8956589, 14)
Show SMILES COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F)C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F6O6/c1-37-23(36)11-6-16(19(32)7-2-14-4-9-21(34)17(12-14)24(26,27)28)20(33)8-3-15-5-10-22(35)18(13-15)25(29,30)31/h2-5,7-10,12-13,16,34-35H,6,11H2,1H3/b7-2+,8-3+
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n/an/a 360n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145857
PNG
(US8956589, 29)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cncc(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C20H16F3NO4/c1-28-19-9-13(4-7-18(19)27)2-5-16(25)10-17(26)6-3-14-8-15(12-24-11-14)20(21,22)23/h2-9,11-12,27H,10H2,1H3/b5-2+,6-3+
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n/an/a 100n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145856
PNG
(US8956589, 28)
Show SMILES CNc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(NC)c(c2)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C23H20F6N2O2/c1-30-20-9-5-14(11-18(20)22(24,25)26)3-7-16(32)13-17(33)8-4-15-6-10-21(31-2)19(12-15)23(27,28)29/h3-12,30-31H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 5.80E+3n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145855
PNG
(US8956589, 27)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C21H17F3O5/c1-29-20-11-14(5-9-19(20)28)3-7-16(26)12-15(25)6-2-13-4-8-18(27)17(10-13)21(22,23)24/h2-11,27-28H,12H2,1H3/b6-2+,7-3+
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n/an/a 130n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145854
PNG
(US8956589, 26)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OCC(O)=O)c(OC)c2)ccc1O
Show InChI InChI=1S/C23H22O8/c1-29-21-11-15(5-9-19(21)26)3-7-17(24)13-18(25)8-4-16-6-10-20(22(12-16)30-2)31-14-23(27)28/h3-12,26H,13-14H2,1-2H3,(H,27,28)/b7-3+,8-4+
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n/an/a 310n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM145853
PNG
(US8956589, 25)
Show SMILES COC(=O)COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C24H24O8/c1-29-22-12-16(6-10-20(22)27)4-8-18(25)14-19(26)9-5-17-7-11-21(23(13-17)30-2)32-15-24(28)31-3/h4-13,27H,14-15H2,1-3H3/b8-4+,9-5+
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n/an/a 140n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
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