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Patent code US9662330

Compile Data Set for Download or QSAR

Found 243 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 (P70S6K)


(Homo sapiens (Human))
BDBM224492
PNG
(US10080750, Compound 170 | US9321760, 170 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C23H23F5N6/c24-16-4-1-14(2-5-16)20-21(30)31-13-32-22(20)34-9-7-33(8-10-34)19(12-29)17-6-3-15(11-18(17)25)23(26,27)28/h1-6,11,13,19H,7-10,12,29H2,(H2,30,31,32)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224346
PNG
(US10080750, Compound 23 | US9321760, 23 | US966233...)
Show SMILES COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N6O2/c1-34(2)16-22(18-8-10-21(11-9-18)27(28,29)30)35-12-14-36(15-13-35)25-23(24(31)32-17-33-25)19-4-6-20(7-5-19)26(37)38-3/h4-11,17,22H,12-16H2,1-3H3,(H2,31,32,33)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224464
PNG
(US10080750, Compound 142 | US9321760, 142 | US9662...)
Show SMILES NC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClFN5/c23-17-5-1-15(2-6-17)20(25)16-9-11-29(12-10-16)22-19(21(26)27-13-28-22)14-3-7-18(24)8-4-14/h1-8,13,16,20H,9-12,25H2,(H2,26,27,28)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224501
PNG
(US10080750, Compound 179 | US9321760, 179 | US9662...)
Show SMILES CCc1c(N)ncnc1N1CCN(CC1)[C@H](CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H25ClN6/c1-2-15-17(21)22-12-23-18(15)25-9-7-24(8-10-25)16(11-20)13-3-5-14(19)6-4-13/h3-6,12,16H,2,7-11,20H2,1H3,(H2,21,22,23)/t16-/m1/s1
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224514
PNG
(US10080750, Compound 192 | US9321760, 192 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C23H23F5N6/c24-16-4-1-14(2-5-16)20-21(30)31-13-32-22(20)34-9-7-33(8-10-34)19(12-29)17-11-15(23(26,27)28)3-6-18(17)25/h1-6,11,13,19H,7-10,12,29H2,(H2,30,31,32)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224364
PNG
(US10080750, Compound 41 | US9321760, 41 | US966233...)
Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)[C@H](CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N8/c1-30-12-15(11-29-30)18-19(26)27-13-28-20(18)32-8-6-31(7-9-32)17(10-25)14-2-4-16(5-3-14)21(22,23)24/h2-5,11-13,17H,6-10,25H2,1H3,(H2,26,27,28)/t17-/m1/s1
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224477
PNG
(US10080750, Compound 155 | US9321760, 155 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F5N6/c24-16-4-1-14(2-5-16)20-21(30)31-13-32-22(20)34-9-7-33(8-10-34)19(12-29)15-3-6-18(25)17(11-15)23(26,27)28/h1-6,11,13,19H,7-10,12,29H2,(H2,30,31,32)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224359
PNG
(US10080750, Compound 36 | US9321760, 36 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7/c19-18(20,21)13-3-1-12(2-4-13)15(10-23)27-5-7-28(8-6-27)17-14(9-22)16(24)25-11-26-17/h1-4,11,15H,5-8,10,23H2,(H2,24,25,26)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224398
PNG
(US10080750, Compound 75 | US9321760, 75 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N6/c27-21-7-3-19(4-8-21)23(17-32-11-1-2-12-32)33-13-15-34(16-14-33)26-24(25(29)30-18-31-26)20-5-9-22(28)10-6-20/h3-10,18,23H,1-2,11-17H2,(H2,29,30,31)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224372
PNG
(US10080750, Compound 49 | US9321760, 49 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(Cl)cc3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClFN4/c23-18-5-1-15(2-6-18)13-16-9-11-28(12-10-16)22-20(21(25)26-14-27-22)17-3-7-19(24)8-4-17/h1-8,14,16H,9-13H2,(H2,25,26,27)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224461
PNG
(US10080750, Compound 139 | US9321760, 139 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(cc2)-c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4O/c29-23-9-5-19(6-10-23)18-1-3-21(4-2-18)26(35)22-13-15-34(16-14-22)28-25(27(31)32-17-33-28)20-7-11-24(30)12-8-20/h1-12,17,22,26,35H,13-16H2,(H2,31,32,33)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224466
PNG
(US10080750, Compound 144 | US9321760, 144 | US9662...)
Show SMILES NC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27F2N5/c29-23-9-5-19(6-10-23)18-1-3-21(4-2-18)26(31)22-13-15-35(16-14-22)28-25(27(32)33-17-34-28)20-7-11-24(30)12-8-20/h1-12,17,22,26H,13-16,31H2,(H2,32,33,34)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224335
PNG
(US10080750, Compound 12 | US9321760, 12 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H32F4N6/c29-23-10-6-21(7-11-23)25-26(33)34-19-35-27(25)38-16-14-37(15-17-38)24(18-36-12-2-1-3-13-36)20-4-8-22(9-5-20)28(30,31)32/h4-11,19,24H,1-3,12-18H2,(H2,33,34,35)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224341
PNG
(US10080750, Compound 18 | US9321760, 18 | US966233...)
Show SMILES CN(C)CCNC(=O)C(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H31F4N7O/c1-36(2)12-11-33-26(39)23(19-3-7-20(8-4-19)27(29,30)31)37-13-15-38(16-14-37)25-22(24(32)34-17-35-25)18-5-9-21(28)10-6-18/h3-10,17,23H,11-16H2,1-2H3,(H,33,39)(H2,32,34,35)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224342
PNG
(US10080750, Compound 19 | US9321760, 19 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C=C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c1-2-15-17(24)25-12-26-18(15)28-9-7-27(8-10-28)16(11-23)13-3-5-14(6-4-13)19(20,21)22/h2-6,12,16H,1,7-11,23H2,(H2,24,25,26)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224345
PNG
(US10080750, Compound 22 | US9321760, 22 | US966233...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(cc1)C(C)(C)O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H35F3N6O/c1-27(2,38)21-9-7-20(8-10-21)24-25(32)33-18-34-26(24)37-15-13-36(14-16-37)23(17-35(3)4)19-5-11-22(12-6-19)28(29,30)31/h5-12,18,23,38H,13-17H2,1-4H3,(H2,32,33,34)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224379
PNG
(US10080750, Compound 56 | US9321760, 56 | US966233...)
Show SMILES NC[C@@H](C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7/c22-21(23,24)16-3-1-13(2-4-16)17(9-25)14-5-7-31(8-6-14)20-18(15-10-29-30-11-15)19(26)27-12-28-20/h1-4,10-12,14,17H,5-9,25H2,(H,29,30)(H2,26,27,28)/t17-/m1/s1
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224390
PNG
(US10080750, Compound 67 | US9321760, 67 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H32F2N6/c28-22-8-4-20(5-9-22)24(18-33-12-2-1-3-13-33)34-14-16-35(17-15-34)27-25(26(30)31-19-32-27)21-6-10-23(29)11-7-21/h4-11,19,24H,1-3,12-18H2,(H2,30,31,32)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224527
PNG
(US10080750, Compound 205 | US9321760, 205 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccncc1
Show InChI InChI=1S/C21H21F2N7O/c22-14-1-2-15(16(23)9-14)20(31)27-10-21(25)5-8-30(11-21)19-17(18(24)28-12-29-19)13-3-6-26-7-4-13/h1-4,6-7,9,12H,5,8,10-11,25H2,(H,27,31)(H2,24,28,29)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224465
PNG
(US10080750, Compound 143 | US9321760, 143 | US9662...)
Show SMILES NC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5/c23-17-5-1-14(2-6-17)19-21(26)27-13-28-22(19)29-11-9-16(10-12-29)20(25)15-3-7-18(24)8-4-15/h1-8,13,16,20H,9-12,25H2,(H2,26,27,28)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224405
PNG
(US10080750, Compound 82 | US9321760, 82 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N6/c27-21-7-3-19(4-8-21)23(17-32-11-1-2-12-32)33-13-15-34(16-14-33)26-24(25(29)30-18-31-26)20-5-9-22(28)10-6-20/h3-10,18,23H,1-2,11-17H2,(H2,29,30,31)/t23-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224381
PNG
(US10080750, Compound 58 | US9321760, 58 | US966233...)
Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCC(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7/c1-31-12-16(11-30-31)19-20(27)28-13-29-21(19)32-8-6-15(7-9-32)18(10-26)14-2-4-17(5-3-14)22(23,24)25/h2-5,11-13,15,18H,6-10,26H2,1H3,(H2,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224333
PNG
(US10080750, Compound 10 | US9321760, 10 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H30F4N6/c28-22-9-5-20(6-10-22)24-25(32)33-18-34-26(24)37-15-13-36(14-16-37)23(17-35-11-1-2-12-35)19-3-7-21(8-4-19)27(29,30)31/h3-10,18,23H,1-2,11-17H2,(H2,32,33,34)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224515
PNG
(US10080750, Compound 193 | US9321760, 193 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cccnc1
Show InChI InChI=1S/C21H24FN7/c22-17-5-3-15(4-6-17)19-20(24)26-14-27-21(19)29-10-8-28(9-11-29)18(12-23)16-2-1-7-25-13-16/h1-7,13-14,18H,8-12,23H2,(H2,24,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224472
PNG
(US10080750, Compound 150 | US9321760, 150 | US9662...)
Show SMILES CN(C)CCNC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H32F2N6/c1-33(2)16-13-30-24(19-5-9-22(28)10-6-19)20-11-14-34(15-12-20)26-23(25(29)31-17-32-26)18-3-7-21(27)8-4-18/h3-10,17,20,24,30H,11-16H2,1-2H3,(H2,29,31,32)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224384
PNG
(US10080750, Compound 61 | US9321760, 61 | US966233...)
Show SMILES CC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1O
Show InChI InChI=1S/C22H23ClFN5O/c1-14(18-7-4-16(23)12-19(18)30)28-8-10-29(11-9-28)22-20(21(25)26-13-27-22)15-2-5-17(24)6-3-15/h2-7,12-14,30H,8-11H2,1H3,(H2,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224353
PNG
(US10080750, Compound 30 | US9321760, 30 | US966233...)
Show SMILES Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H26FN7/c1-31-12-11-28-25(31)22(19-5-3-2-4-6-19)32-13-15-33(16-14-32)24-21(23(27)29-17-30-24)18-7-9-20(26)10-8-18/h2-12,17,22H,13-16H2,1H3,(H2,27,29,30)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224344
PNG
(US10080750, Compound 21 | US9321760, 21 | US966233...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1C=C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6/c1-4-17-19(25)26-14-27-20(17)30-11-9-29(10-12-30)18(13-28(2)3)15-5-7-16(8-6-15)21(22,23)24/h4-8,14,18H,1,9-13H2,2-3H3,(H2,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224337
PNG
(US10080750, Compound 14 | US9321760, 14 | US966233...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24BrF3N6/c1-27(2)11-15(13-3-5-14(6-4-13)19(21,22)23)28-7-9-29(10-8-28)18-16(20)17(24)25-12-26-18/h3-6,12,15H,7-11H2,1-2H3,(H2,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224354
PNG
(US10080750, Compound 31 | US9321760, 31 | US966233...)
Show SMILES COc1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H23F3N6O/c1-28-15-16(23)24-11-25-17(15)27-8-6-26(7-9-27)14(10-22)12-2-4-13(5-3-12)18(19,20)21/h2-5,11,14H,6-10,22H2,1H3,(H2,23,24,25)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224374
PNG
(US10080750, Compound 51 | US9321760, 51 | US966233...)
Show SMILES NCC(C1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H21BrF3N5/c19-15-16(24)25-10-26-17(15)27-7-5-12(6-8-27)14(9-23)11-1-3-13(4-2-11)18(20,21)22/h1-4,10,12,14H,5-9,23H2,(H2,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224486
PNG
(US10080750, Compound 164 | US9321760, 164 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(Cl)c(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10H2,(H2,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224349
PNG
(US10080750, Compound 26 | US9321760, 26 | US966233...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(cc1)C(O)=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O2/c1-33(2)15-21(17-7-9-20(10-8-17)26(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-3-5-19(6-4-18)25(36)37/h3-10,16,21H,11-15H2,1-2H3,(H,36,37)(H2,30,31,32)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224530
PNG
(US10080750, Compound 208 | US9321760, 208 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H23F3N6O/c24-15-3-1-14(2-4-15)19-20(27)30-13-31-21(19)32-9-7-23(28,8-10-32)12-29-22(33)17-6-5-16(25)11-18(17)26/h1-6,11,13H,7-10,12,28H2,(H,29,33)(H2,27,30,31)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224356
PNG
(US10080750, Compound 33 | US9321760, 33 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1OCC(F)(F)F)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H22F6N6O/c20-18(21,22)10-32-15-16(27)28-11-29-17(15)31-7-5-30(6-8-31)14(9-26)12-1-3-13(4-2-12)19(23,24)25/h1-4,11,14H,5-10,26H2,(H2,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224355
PNG
(US10080750, Compound 32 | US9321760, 32 | US966233...)
Show SMILES CCOc1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N6O/c1-2-29-16-17(24)25-12-26-18(16)28-9-7-27(8-10-28)15(11-23)13-3-5-14(6-4-13)19(20,21)22/h3-6,12,15H,2,7-11,23H2,1H3,(H2,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224518
PNG
(US10080750, Compound 196 | US9321760, 196 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1C#N
Show InChI InChI=1S/C17H17F2N7O/c18-10-1-2-11(13(19)5-10)16(27)23-7-17(22)3-4-26(8-17)15-12(6-20)14(21)24-9-25-15/h1-2,5,9H,3-4,7-8,22H2,(H,23,27)(H2,21,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224387
PNG
(US10080750, Compound 64 | US9321760, 64 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCCC2)c2cccc(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H32F2N6/c28-22-9-7-20(8-10-22)25-26(30)31-19-32-27(25)35-15-13-34(14-16-35)24(18-33-11-2-1-3-12-33)21-5-4-6-23(29)17-21/h4-10,17,19,24H,1-3,11-16,18H2,(H2,30,31,32)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224357
PNG
(US10080750, Compound 34 | US9321760, 34 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1OCc1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N6O/c25-24(26,27)19-8-6-18(7-9-19)20(14-28)32-10-12-33(13-11-32)23-21(22(29)30-16-31-23)34-15-17-4-2-1-3-5-17/h1-9,16,20H,10-15,28H2,(H2,29,30,31)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224507
PNG
(US10080750, Compound 185 | US9321760, 185 | US9662...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C20H26N8O2S/c1-31(29,30)16-4-2-14(3-5-16)17(10-21)27-6-8-28(9-7-27)20-18(15-11-25-26-12-15)19(22)23-13-24-20/h2-5,11-13,17H,6-10,21H2,1H3,(H,25,26)(H2,22,23,24)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224371
PNG
(US10080750, Compound 48 | US9321760, 48 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H22F4N4/c24-19-7-3-17(4-8-19)20-21(28)29-14-30-22(20)31-11-9-16(10-12-31)13-15-1-5-18(6-2-15)23(25,26)27/h1-8,14,16H,9-13H2,(H2,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224484
PNG
(US10080750, Compound 162 | US9321760, 162 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H20ClFN6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-12H2,(H2,26,27,28)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224343
PNG
(US10080750, Compound 20 | US9321760, 20 | US966233...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(N)nc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N8/c1-33(2)14-19(16-3-6-18(7-4-16)24(25,26)27)34-9-11-35(12-10-34)23-21(22(29)31-15-32-23)17-5-8-20(28)30-13-17/h3-8,13,15,19H,9-12,14H2,1-2H3,(H2,28,30)(H2,29,31,32)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224500
PNG
(US10080750, Compound 178 | US9321760, 178 | US9662...)
Show SMILES CCc1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H25ClN6/c1-2-15-17(21)22-12-23-18(15)25-9-7-24(8-10-25)16(11-20)13-3-5-14(19)6-4-13/h3-6,12,16H,2,7-11,20H2,1H3,(H2,21,22,23)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224493
PNG
(US10080750, Compound 171 | US9321760, 171 | US9662...)
Show SMILES C[C@@H]([C@H](CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C24H29FN6/c1-17(18-5-3-2-4-6-18)21(15-26)30-11-13-31(14-12-30)24-22(23(27)28-16-29-24)19-7-9-20(25)10-8-19/h2-10,16-17,21H,11-15,26H2,1H3,(H2,27,28,29)/t17-,21+/m1/s1
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224383
PNG
(US10080750, Compound 60 | US9321760, 60 | US966233...)
Show SMILES Nc1ncnc(N2CCN(Cc3cc(Cl)c(Cl)cc3O)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C21H20Cl2FN5O/c22-16-9-14(18(30)10-17(16)23)11-28-5-7-29(8-6-28)21-19(20(25)26-12-27-21)13-1-3-15(24)4-2-13/h1-4,9-10,12,30H,5-8,11H2,(H2,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224542
PNG
(US10080750, Compound 225 | US9321760, 225 | US9662...)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN8O/c1-2-17(14-3-5-16(23)6-4-14)30-21(32)22(25)7-9-31(10-8-22)20-18(15-11-28-29-12-15)19(24)26-13-27-20/h3-6,11-13,17H,2,7-10,25H2,1H3,(H,28,29)(H,30,32)(H2,24,26,27)/t17-/m0/s1
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224403
PNG
(US10080750, Compound 80 | US9321760, 80 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H20ClF3N6/c18-14-15(23)24-10-25-16(14)27-7-5-26(6-8-27)13(9-22)11-1-3-12(4-2-11)17(19,20)21/h1-4,10,13H,5-9,22H2,(H2,23,24,25)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224389
PNG
(US10080750, Compound 66 | US9321760, 66 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H30F4N6/c28-22-8-6-19(7-9-22)24-25(32)33-18-34-26(24)37-14-12-36(13-15-37)23(17-35-10-1-2-11-35)20-4-3-5-21(16-20)27(29,30)31/h3-9,16,18,23H,1-2,10-15,17H2,(H2,32,33,34)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224541
PNG
(US10080750, Compound 224 | US9321760, 224 | US9662...)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN8O/c1-13(14-2-4-16(22)5-3-14)29-20(31)21(24)6-8-30(9-7-21)19-17(15-10-27-28-11-15)18(23)25-12-26-19/h2-5,10-13H,6-9,24H2,1H3,(H,27,28)(H,29,31)(H2,23,25,26)/t13-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US9662330 (2017)

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