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Patent code US9464103

Compile Data Set for Download or QSAR
Found 12 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-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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UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/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...


Citation and Details
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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UniChem
US Patent
n/an/a 9.5n/an/an/an/an/an/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...


Citation and Details
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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US Patent
n/an/a 10.1n/an/an/an/an/an/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...


Citation and Details
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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US Patent
n/an/a 13.9n/an/an/an/an/an/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...


Citation and Details
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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US Patent
n/an/a 23.3n/an/an/an/an/an/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...


Citation and Details
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/an/an/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...


Citation and Details
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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US Patent
n/an/a 57.7n/an/an/an/an/an/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...


Citation and Details
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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n/an/a 66.6n/an/an/an/an/an/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...


Citation and Details
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/an/an/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...


Citation and Details
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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US Patent
n/an/a 228n/an/an/an/an/an/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...


Citation and Details
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/an/an/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...


Citation and Details
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/an/an/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...


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