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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°
kcal/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))
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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n/an/a 31n/an/an/an/an/an/a



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))
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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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))
BDBM224352
PNG
(US10080750, Compound 29 | US9321760, 29 | US966233...)
Show SMILES Cn1ccnc1C(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C19H22BrN7/c1-25-8-7-22-19(25)16(14-5-3-2-4-6-14)26-9-11-27(12-10-26)18-15(20)17(21)23-13-24-18/h2-8,13,16H,9-12H2,1H3,(H2,21,23,24)
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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))
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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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))
BDBM224373
PNG
(US10080750, Compound 50 | US9321760, 50 | US966233...)
Show SMILES Nc1ncnc(N2CCC(Cc3ccc(cc3)-c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4/c29-24-9-5-22(6-10-24)21-3-1-19(2-4-21)17-20-13-15-34(16-14-20)28-26(27(31)32-18-33-28)23-7-11-25(30)12-8-23/h1-12,18,20H,13-17H2,(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))
BDBM224380
PNG
(US10080750, Compound 57 | US9321760, 57 | 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-/m0/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))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(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))
BDBM224392
PNG
(US10080750, Compound 69 | US9321760, 69 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C21H26BrF3N6/c22-18-19(26)27-14-28-20(18)31-10-8-30(9-11-31)17(13-29-6-1-2-7-29)15-4-3-5-16(12-15)21(23,24)25/h3-5,12,14,17H,1-2,6-11,13H2,(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))
BDBM224418
PNG
(US10080750, Compound 95 | US9321760, 95 | US966233...)
Show SMILES COc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H29FN8O/c1-33-20-4-3-16(11-18(20)24)19(14-30-5-2-6-30)31-7-9-32(10-8-31)23-21(17-12-28-29-13-17)22(25)26-15-27-23/h3-4,11-13,15,19H,2,5-10,14H2,1H3,(H,28,29)(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))
BDBM224425
PNG
(US10080750, Compound 102 | US9321760, 102 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCC2)c2cccc(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C25H28F2N6/c26-20-7-5-18(6-8-20)23-24(28)29-17-30-25(23)33-13-11-32(12-14-33)22(16-31-9-2-10-31)19-3-1-4-21(27)15-19/h1,3-8,15,17,22H,2,9-14,16H2,(H2,28,29,30)/t22-/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))
BDBM224435
PNG
(US10080750, Compound 112 | US9321760, 112 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CCN2CCC2)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H30ClFN6/c27-21-6-2-19(3-7-21)23(10-13-32-11-1-12-32)33-14-16-34(17-15-33)26-24(25(29)30-18-31-26)20-4-8-22(28)9-5-20/h2-9,18,23H,1,10-17H2,(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))
BDBM224437
PNG
(US10080750, Compound 114 | US9321760, 114 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(F)c(OC(F)(F)F)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26F4N8O/c24-17-3-2-15(10-19(17)36-23(25,26)27)18(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,18H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
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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))
BDBM224441
PNG
(US10080750, Compound 118 | US9321760, 118 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc3[nH]c(=O)sc3c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7OS/c27-19-5-2-17(3-6-19)23-24(28)29-16-30-25(23)34-12-10-33(11-13-34)21(15-32-8-1-9-32)18-4-7-20-22(14-18)36-26(35)31-20/h2-7,14,16,21H,1,8-13,15H2,(H,31,35)(H2,28,29,30)
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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))
BDBM224447
PNG
(US10080750, Compound 124 | US9321760, 124 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(F)c2F)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26F2N8/c23-17-4-1-3-16(20(17)24)18(13-30-5-2-6-30)31-7-9-32(10-8-31)22-19(15-11-28-29-12-15)21(25)26-14-27-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,28,29)(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))
BDBM224448
PNG
(US10080750, Compound 125 | US9321760, 125 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCC2)c2cccc(c2)C#N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7/c27-22-7-5-20(6-8-22)24-25(29)30-18-31-26(24)34-13-11-33(12-14-34)23(17-32-9-2-10-32)21-4-1-3-19(15-21)16-28/h1,3-8,15,18,23H,2,9-14,17H2,(H2,29,30,31)/t23-/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))
BDBM224450
PNG
(US10080750, Compound 127 | US9321760, 127 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(c(F)c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26F4N8/c24-18-10-15(2-3-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
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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))
BDBM224455
PNG
(US10080750, Compound 132 | US9321760, 132 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(Cl)c(c2)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-18-3-2-15(10-17(18)23(25,26)27)19(13-33-4-1-5-33)34-6-8-35(9-7-34)22-20(16-11-31-32-12-16)21(28)29-14-30-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,31,32)(H2,28,29,30)
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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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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))
BDBM224468
PNG
(US10080750, Compound 146 | US9321760, 146 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(OCCN2CCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N5O/c29-23-7-3-20(4-8-23)25-27(31)32-19-33-28(25)35-15-11-22(12-16-35)26(21-5-9-24(30)10-6-21)36-18-17-34-13-1-2-14-34/h3-10,19,22,26H,1-2,11-18H2,(H2,31,32,33)
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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))
BDBM224479
PNG
(US10080750, Compound 157 | US9321760, 157 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H23Cl2FN6/c23-17-6-3-15(11-18(17)24)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(25)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)
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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))
BDBM224481
PNG
(US10080750, Compound 159 | US9321760, 159 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F2N6/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,9-13,25H2,(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))
BDBM224494
PNG
(US10080750, Compound 172 | US9321760, 172 | 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-/m0/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))
BDBM224497
PNG
(US10080750, Compound 175 | US9321760, 175 | US9662...)
Show SMILES NC[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1
Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m0/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))
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))
BDBM224511
PNG
(US10080750, Compound 189 | US9321760, 189 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(nc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N7/c23-16-4-1-14(2-5-16)19-20(28)30-13-31-21(19)33-9-7-32(8-10-33)17(11-27)15-3-6-18(29-12-15)22(24,25)26/h1-6,12-13,17H,7-10H2,(H2,28,30,31)
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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))
BDBM224517
PNG
(US10080750, Compound 195 | US9321760, 195 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1Br
Show InChI InChI=1S/C16H17BrF2N6O/c17-12-13(20)23-8-24-14(12)25-4-3-16(21,7-25)6-22-15(26)10-2-1-9(18)5-11(10)19/h1-2,5,8H,3-4,6-7,21H2,(H,22,26)(H2,20,23,24)
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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))
BDBM224535
PNG
(US10080750, Compound 218 | US9321760, 218 | US9662...)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClN7O/c1-12(13-2-4-14(20)5-3-13)26-18(28)19(23)6-8-27(9-7-19)17-15(10-21)16(22)24-11-25-17/h2-5,11-12H,6-9,23H2,1H3,(H,26,28)(H2,22,24,25)/t12-/m0/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))
BDBM224545
PNG
(US10080750, Compound 228 | US9321760, 228 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccccc2)c1Cl
Show InChI InChI=1S/C19H25ClN6O2/c20-15-16(21)23-12-24-17(15)26-9-7-19(22,8-10-26)18(28)25-14(6-11-27)13-4-2-1-3-5-13/h1-5,12,14,27H,6-11,22H2,(H,25,28)(H2,21,23,24)/t14-/m0/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))
BDBM224559
PNG
(US10080750, Compound 242 | US9321760, 242 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C20H24ClN7O2/c21-14-3-1-13(2-4-14)16(5-10-29)27-19(30)20(24)6-8-28(9-7-20)18-15(11-22)17(23)25-12-26-18/h1-4,12,16,29H,5-10,24H2,(H,27,30)(H2,23,25,26)/t16-/m0/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))
BDBM224560
PNG
(US10080750, Compound 243 | US9321760, 243 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C20H24FN7O2/c21-14-3-1-13(2-4-14)16(5-10-29)27-19(30)20(24)6-8-28(9-7-20)18-15(11-22)17(23)25-12-26-18/h1-4,12,16,29H,5-10,24H2,(H,27,30)(H2,23,25,26)/t16-/m0/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))
BDBM224564
PNG
(US10080750, Compound 247 | US9321760, 247 | US9662...)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(N)(CC1)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClN7O3/c21-13-3-1-12(2-4-13)14(5-10-29)27-19(31)20(24)6-8-28(9-7-20)18-15(17(23)30)16(22)25-11-26-18/h1-4,11,14,29H,5-10,24H2,(H2,23,30)(H,27,31)(H2,22,25,26)/t14-/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))
BDBM224325
PNG
(US10080750, Compound 2 | US9321760, 2 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(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))
BDBM224328
PNG
(US10080750, Compound 5 | US9321760, 5 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccccc1
Show InChI InChI=1S/C16H21BrN6/c17-14-15(19)20-11-21-16(14)23-8-6-22(7-9-23)13(10-18)12-4-2-1-3-5-12/h1-5,11,13H,6-10,18H2,(H2,19,20,21)
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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))
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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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))
BDBM224363
PNG
(US10080750, Compound 40 | US9321760, 40 | US966233...)
Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(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)
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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))
BDBM224376
PNG
(US10080750, Compound 53 | US9321760, 53 | US966233...)
Show SMILES NC[C@@H](C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25F4N5/c25-19-7-3-17(4-8-19)21-22(30)31-14-32-23(21)33-11-9-16(10-12-33)20(13-29)15-1-5-18(6-2-15)24(26,27)28/h1-8,14,16,20H,9-13,29H2,(H2,30,31,32)/t20-/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))
BDBM224382
PNG
(US10080750, Compound 59 | US9321760, 59 | US966233...)
Show SMILES NCC(C1CCN(CC1)c1ncnc(N)c1-c1cnoc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)16-3-1-13(2-4-16)17(9-25)14-5-7-30(8-6-14)20-18(15-10-29-31-11-15)19(26)27-12-28-20/h1-4,10-12,14,17H,5-9,25H2,(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))
BDBM224385
PNG
(US10080750, Compound 62 | US9321760, 62 | US966233...)
Show SMILES Nc1ncnc(N2CCN(Cc3cc(Cl)c(Cl)cc3OC3CNC3)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H25Cl2FN6O/c25-19-9-16(21(10-20(19)26)34-18-11-29-12-18)13-32-5-7-33(8-6-32)24-22(23(28)30-14-31-24)15-1-3-17(27)4-2-15/h1-4,9-10,14,18,29H,5-8,11-13H2,(H2,28,30,31)
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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))
BDBM224399
PNG
(US10080750, Compound 76 | US9321760, 76 | US966233...)
Show SMILES Nc1cc(ncn1)N1CCN(CC1)C(CN1CCCCC1)c1cccc(F)c1
Show InChI InChI=1S/C21H29FN6/c22-18-6-4-5-17(13-18)19(15-26-7-2-1-3-8-26)27-9-11-28(12-10-27)21-14-20(23)24-16-25-21/h4-6,13-14,16,19H,1-3,7-12,15H2,(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))
BDBM224400
PNG
(US10080750, Compound 77 | US9321760, 77 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(F)cc2)c1Br
Show InChI InChI=1S/C20H26BrFN6/c21-18-19(23)24-14-25-20(18)28-11-9-27(10-12-28)17(13-26-7-1-2-8-26)15-3-5-16(22)6-4-15/h3-6,14,17H,1-2,7-13H2,(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))
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))
BDBM224417
PNG
(US10080750, Compound 94 | US9321760, 94 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@@H](CN2CCC2)c2ccc3OCCOc3c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H31FN6O2/c28-21-5-2-19(3-6-21)25-26(29)30-18-31-27(25)34-12-10-33(11-13-34)22(17-32-8-1-9-32)20-4-7-23-24(16-20)36-15-14-35-23/h2-7,16,18,22H,1,8-15,17H2,(H2,29,30,31)/t22-/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224426
PNG
(US10080750, Compound 103 | US9321760, 103 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@@H](CN2CCC2)c2cccc(F)c2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C25H28F2N6/c26-20-7-5-18(6-8-20)23-24(28)29-17-30-25(23)33-13-11-32(12-14-33)22(16-31-9-2-10-31)19-3-1-4-21(27)15-19/h1,3-8,15,17,22H,2,9-14,16H2,(H2,28,29,30)/t22-/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM224451
PNG
(US10080750, Compound 128 | US9321760, 128 | US9662...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O2S/c1-36(34,35)22-9-5-19(6-10-22)23(17-31-11-2-12-31)32-13-15-33(16-14-32)26-24(25(28)29-18-30-26)20-3-7-21(27)8-4-20/h3-10,18,23H,2,11-17H2,1H3,(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))
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))
BDBM224489
PNG
(US10080750, Compound 167 | US9321760, 167 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(cc2)C(F)(F)F)c1Br
Show InChI InChI=1S/C17H16BrF3N6/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,5-8H2,(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))
BDBM224491
PNG
(US10080750, Compound 169 | US9321760, 169 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cccc(F)c1
Show InChI InChI=1S/C22H24F2N6/c23-17-6-4-15(5-7-17)20-21(26)27-14-28-22(20)30-10-8-29(9-11-30)19(13-25)16-2-1-3-18(24)12-16/h1-7,12,14,19H,8-11,13,25H2,(H2,26,27,28)
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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))
BDBM224495
PNG
(US10080750, Compound 173 | US9321760, 173 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(Cl)nc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C21H19ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-10H2,(H2,25,27,28)
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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))
BDBM224499
PNG
(US10080750, Compound 177 | US9321760, 177 | US9662...)
Show SMILES CCc1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(Cl)nc1
Show InChI InChI=1S/C17H24ClN7/c1-2-13-16(20)22-11-23-17(13)25-7-5-24(6-8-25)14(9-19)12-3-4-15(18)21-10-12/h3-4,10-11,14H,2,5-9,19H2,1H3,(H2,20,22,23)
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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%