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Patent code US10081632

Compile Data Set for Download or QSAR
Found 21 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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286085
PNG
(Synthesis of 1-benzyl-N-(1-oxo-1,2,3,4-tetrahydrop...)
Show SMILES O=C(Nc1ccc2cc3C(=O)NCCn3c2c1)c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C22H19N5O2/c28-21(17-12-24-26(14-17)13-15-4-2-1-3-5-15)25-18-7-6-16-10-20-22(29)23-8-9-27(20)19(16)11-18/h1-7,10-12,14H,8-9,13H2,(H,23,29)(H,25,28)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286083
PNG
(Synthesis of 1-benzyl-N-(3-(piperazin-1-ylmethyl)b...)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2coc3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc23)CC1
Show InChI InChI=1S/C29H33N5O4/c1-29(2,3)38-28(36)33-13-11-32(12-14-33)18-23-20-37-26-15-24(9-10-25(23)26)31-27(35)22-16-30-34(19-22)17-21-7-5-4-6-8-21/h4-10,15-16,19-20H,11-14,17-18H2,1-3H3,(H,31,35)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286087
PNG
(Synthesis of 1-benzyl-N-(2-methyl-2,3,4,5-tetrahyd...)
Show SMILES CN1CCc2[nH]c3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286086
PNG
(Synthesis of 1-benzyl-N-(2-methyl-1,2,3,4-tetrahyd...)
Show SMILES CN1CCc2oc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3c2C1
Show InChI InChI=1S/C23H22N4O2/c1-26-10-9-22-20(15-26)19-11-18(7-8-21(19)29-22)25-23(28)17-12-24-27(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13,15H2,1H3,(H,25,28)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286075
PNG
(Synthesis of 1-Benzyl-N-(3-(morpholinomethyl)-1H-i...)
Show SMILES O=C(Nc1ccc2c(CN3CCOCC3)c[nH]c2c1)c1cnn(Cc2ccccc2)c1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286080
PNG
(Synthesis of 1-benzyl-N-(3-(morpholinomethyl)benzo...)
Show SMILES O=C(Nc1ccc2c(CN3CCOCC3)coc2c1)c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H24N4O3/c29-24(19-13-25-28(16-19)14-18-4-2-1-3-5-18)26-21-6-7-22-20(17-31-23(22)12-21)15-27-8-10-30-11-9-27/h1-7,12-13,16-17H,8-11,14-15H2,(H,26,29)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286078
PNG
(Synthesis of 1-Benzyl-N-(3-(morpholinomethyl)benzo...)
Show SMILES O=C(Nc1ccc2scc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H24N4O2S/c29-24(19-13-25-28(16-19)14-18-4-2-1-3-5-18)26-21-6-7-23-22(12-21)20(17-31-23)15-27-8-10-30-11-9-27/h1-7,12-13,16-17H,8-11,14-15H2,(H,26,29)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286076
PNG
(Synthesis of 1-Benzyl-N-(3-((4-methylpiperazin-1-y...)
Show SMILES CN1CCN(Cc2c[nH]c3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc23)CC1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286077
PNG
(Synthesis of 1-Benzyl-N-(3-((4-methylpiperazin-1-y...)
Show SMILES CN1CCN(Cc2c[nH]c3cc(NC(=O)c4cnn(Cc5ccccc5)c4)ccc23)CC1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286079
PNG
(Synthesis of 1-Benzyl-N-(3-(piperazin-1-ylmethyl)b...)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2csc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc23)CC1
Show InChI InChI=1S/C29H33N5O3S/c1-29(2,3)37-28(36)33-13-11-32(12-14-33)18-23-20-38-26-10-9-24(15-25(23)26)31-27(35)22-16-30-34(19-22)17-21-7-5-4-6-8-21/h4-10,15-16,19-20H,11-14,17-18H2,1-3H3,(H,31,35)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286074
PNG
(Synthesis of 1-Benzyl-N-(3-(morpholinomethyl)-1H-i...)
Show SMILES O=C(Nc1ccc2[nH]cc(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286082
PNG
(Synthesis of 1-benzyl-N-(3-(piperazin-1-ylmethyl)b...)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2coc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc23)CC1
Show InChI InChI=1S/C29H33N5O4/c1-29(2,3)38-28(36)33-13-11-32(12-14-33)18-23-20-37-26-10-9-24(15-25(23)26)31-27(35)22-16-30-34(19-22)17-21-7-5-4-6-8-21/h4-10,15-16,19-20H,11-14,17-18H2,1-3H3,(H,31,35)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286081
PNG
(Synthesis of 1-benzyl-N-(3-(morpholinomethyl)benzo...)
Show SMILES O=C(Nc1ccc2occ(CN3CCOCC3)c2c1)c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H24N4O3/c29-24(19-13-25-28(16-19)14-18-4-2-1-3-5-18)26-21-6-7-23-22(12-21)20(17-31-23)15-27-8-10-30-11-9-27/h1-7,12-13,16-17H,8-11,14-15H2,(H,26,29)
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286091
PNG
(Synthesis of (R)żN-(1-(4-aminobenzyl)-1H-pyrazol-4...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-7-10-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-5-8-19(9-6-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286090
PNG
(Synthesis of (R)żN-(1-(2-aminobenzyl)-1H-pyrazol-4...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2NC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-17-9-10-21(31-23(17)34(16)22)24(35)30-19-13-29-33(15-19)14-18-7-5-6-8-20(18)32-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,32,37)/t16-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286094
PNG
(Synthesis of (R)żN-(1-(4-aminobenzyl)-1H-pyrazol-4...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccc(N)cc2)c1
Show InChI InChI=1S/C22H21N7O2/c1-13-9-24-22(31)19-8-15-4-7-18(27-20(15)29(13)19)21(30)26-17-10-25-28(12-17)11-14-2-5-16(23)6-3-14/h2-8,10,12-13H,9,11,23H2,1H3,(H,24,31)(H,26,30)/t13-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286089
PNG
(Synthesis of (R)żN-(1-(3-aminobenzyl)-1H-pyrazol-4...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2cccc(NC(=O)OC(C)(C)C)c2)c1
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)22-11-18-8-9-21(32-23(18)34(16)22)24(35)30-20-13-29-33(15-20)14-17-6-5-7-19(10-17)31-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,35)(H,31,37)/t16-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286088
PNG
((R)-1-benzyl-N-(9-methyl-6-oxo-6,7,8,9-tetrahydrop...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5ccccc5)c4)cc3n12
Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-9-17-7-8-19(10-20(17)28(15)21)26-22(29)18-12-25-27(14-18)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286092
PNG
(Synthesis of (R)-1-(3-aminobenzyl)-N-(9-methyl-6-o...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(NC(=O)c4cnn(Cc5cccc(NC(=O)OC(C)(C)C)c5)c4)nc3n12
Show InChI InChI=1S/C27H29N7O4/c1-16-12-28-25(36)21-11-18-8-9-22(31-23(18)34(16)21)32-24(35)19-13-29-33(15-19)14-17-6-5-7-20(10-17)30-26(37)38-27(2,3)4/h5-11,13,15-16H,12,14H2,1-4H3,(H,28,36)(H,30,37)(H,31,32,35)/t16-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286093
PNG
(Synthesis of (R)-9-methyl-N-(1-((1-methylpiperidin...)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(CC2CCN(C)CC2)c1
Show InChI InChI=1S/C22H27N7O2/c1-14-10-23-22(31)19-9-16-3-4-18(26-20(16)29(14)19)21(30)25-17-11-24-28(13-17)12-15-5-7-27(2)8-6-15/h3-4,9,11,13-15H,5-8,10,12H2,1-2H3,(H,23,31)(H,25,30)/t14-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM286084
PNG
(Synthesis of (R)-1-benzyl-N-(4-methyl-1-oxo-1,2,3,...)
Show SMILES COC(=O)c1cc2ccc(Br)cc2n1[C@H](C)CNC(=O)OC(C)(C)C
Show InChI InChI=1S/C18H23BrN2O4/c1-11(10-20-17(23)25-18(2,3)4)21-14-9-13(19)7-6-12(14)8-15(21)16(22)24-5/h6-9,11H,10H2,1-5H3,(H,20,23)/t11-/m1/s1
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PHOENIX MOLECULAR DESIGNS

US Patent


Assay Description
The assay was initiated by the addition of 33P-ATP and the reaction mixture incubated at 30° C. for 15 minutes. After the incubation period, the assa...


US Patent US10081632 (2018)

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