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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))
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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n/an/a 19n/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))
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))
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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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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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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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))
BDBM224409
PNG
(US10080750, Compound 86 | US9321760, 86 | US966233...)
Show SMILES COC(=O)c1ccc(cc1)C(CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C24H30N8O2/c1-34-24(33)18-5-3-17(4-6-18)20(15-30-7-2-8-30)31-9-11-32(12-10-31)23-21(19-13-28-29-14-19)22(25)26-16-27-23/h3-6,13-14,16,20H,2,7-12,15H2,1H3,(H,28,29)(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))
BDBM224410
PNG
(US10080750, Compound 87 | US9321760, 87 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)[C@H](CN2CCC2)c2cccc(F)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H27FN8/c23-18-4-1-3-16(11-18)19(14-29-5-2-6-29)30-7-9-31(10-8-30)22-20(17-12-27-28-13-17)21(24)25-15-26-22/h1,3-4,11-13,15,19H,2,5-10,14H2,(H,27,28)(H2,24,25,26)/t19-/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))
BDBM224433
PNG
(US10080750, Compound 110 | US9321760, 110 | US9662...)
Show SMILES COC(=O)c1ccc(cc1)[C@@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H31FN6O2/c1-36-27(35)21-5-3-19(4-6-21)23(17-32-11-2-12-32)33-13-15-34(16-14-33)26-24(25(29)30-18-31-26)20-7-9-22(28)10-8-20/h3-10,18,23H,2,11-17H2,1H3,(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))
BDBM224436
PNG
(US10080750, Compound 113 | US9321760, 113 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CCCN2CCC2)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C27H32ClFN6/c28-22-8-4-20(5-9-22)24(3-1-12-33-13-2-14-33)34-15-17-35(18-16-34)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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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))
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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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))
BDBM224449
PNG
(US10080750, Compound 126 | US9321760, 126 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(Cl)c2Cl)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26Cl2N8/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))
BDBM224460
PNG
(US10080750, Compound 138 | US9321760, 138 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClFN4O/c23-17-5-1-15(2-6-17)20(29)16-9-11-28(12-10-16)22-19(21(25)26-13-27-22)14-3-7-18(24)8-4-14/h1-8,13,16,20,29H,9-12H2,(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))
BDBM224462
PNG
(US10080750, Compound 140 | US9321760, 140 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(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))
BDBM224463
PNG
(US10080750, Compound 141 | US9321760, 141 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1C=C
Show InChI InChI=1S/C18H21FN4O/c1-2-15-17(20)21-11-22-18(15)23-9-7-13(8-10-23)16(24)12-3-5-14(19)6-4-12/h2-6,11,13,16,24H,1,7-10H2,(H2,20,21,22)
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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))
BDBM224470
PNG
(US10080750, Compound 148 | US9321760, 148 | US9662...)
Show SMILES Nc1ncnc(N2CCC(CC2)C(N2CCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H29F2N5/c27-21-7-3-18(4-8-21)23-25(29)30-17-31-26(23)33-15-11-20(12-16-33)24(32-13-1-2-14-32)19-5-9-22(28)10-6-19/h3-10,17,20,24H,1-2,11-16H2,(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))
BDBM224498
PNG
(US10080750, Compound 176 | US9321760, 176 | 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-/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))
BDBM224508
PNG
(US10080750, Compound 186 | US9321760, 186 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H23F3N8O/c21-20(22,23)32-15-3-1-13(2-4-15)16(9-24)30-5-7-31(8-6-30)19-17(14-10-28-29-11-14)18(25)26-12-27-19/h1-4,10-12,16H,5-9,24H2,(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))
BDBM224513
PNG
(US10080750, Compound 191 | US9321760, 191 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)C2CCCCC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6/c23-18-8-6-17(7-9-18)20-21(25)26-15-27-22(20)29-12-10-28(11-13-29)19(14-24)16-4-2-1-3-5-16/h6-9,15-16,19H,1-5,10-13H2,(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))
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))
BDBM224529
PNG
(US10080750, Compound 207 | US9321760, 207 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)CC2)c1Br
Show InChI InChI=1S/C17H19BrF2N6O/c18-13-14(21)24-9-25-15(13)26-5-3-17(22,4-6-26)8-23-16(27)11-2-1-10(19)7-12(11)20/h1-2,7,9H,3-6,8,22H2,(H,23,27)(H2,21,24,25)
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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))
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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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))
BDBM224549
PNG
(US10080750, Compound 232 | US9321760, 232 | US9662...)
Show SMILES Cc1ccc(cc1)[C@H](CCO)NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C21H29N7O3/c1-13-2-4-14(5-3-13)15(6-11-29)27-20(31)21(24)7-9-28(10-8-21)19-16(18(23)30)17(22)25-12-26-19/h2-5,12,15,29H,6-11,24H2,1H3,(H2,23,30)(H,27,31)(H2,22,25,26)/t15-/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))
BDBM224550
PNG
(US10080750, Compound 233 | US9321760, 233 | US9662...)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(N)(CC1)C(=O)N[C@@H](CCO)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N7O3/c22-21(23,24)13-3-1-12(2-4-13)14(5-10-32)30-19(34)20(27)6-8-31(9-7-20)18-15(17(26)33)16(25)28-11-29-18/h1-4,11,14,32H,5-10,27H2,(H2,26,33)(H,30,34)(H2,25,28,29)/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))
BDBM224551
PNG
(US10080750, Compound 234 | US9321760, 234 | US9662...)
Show SMILES COC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H24Cl2N6O2/c1-29-10-14(12-2-4-13(20)5-3-12)26-18(28)19(23)6-8-27(9-7-19)17-15(21)16(22)24-11-25-17/h2-5,11,14H,6-10,23H2,1H3,(H,26,28)(H2,22,24,25)/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))
BDBM224552
PNG
(US10080750, Compound 235 | US9321760, 235 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C19H24Cl2N6O2/c20-13-3-1-12(2-4-13)14(5-10-28)26-18(29)19(23)6-8-27(9-7-19)17-15(21)16(22)24-11-25-17/h1-4,11,14,28H,5-10,23H2,(H,26,29)(H2,22,24,25)/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))
BDBM224553
PNG
(US10080750, Compound 236 | US9321760, 236 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CC2)C(=O)N[C@@H](CCO)c2ccc(F)cc2)c1Cl
Show InChI InChI=1S/C19H24ClFN6O2/c20-15-16(22)24-11-25-17(15)27-8-6-19(23,7-9-27)18(29)26-14(5-10-28)12-1-3-13(21)4-2-12/h1-4,11,14,28H,5-10,23H2,(H,26,29)(H2,22,24,25)/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))
BDBM224562
PNG
(US10080750, Compound 245 | US9321760, 245 | US9662...)
Show SMILES CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc(N)c1C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClN7O2/c1-2-14(12-3-5-13(21)6-4-12)27-19(30)20(24)7-9-28(10-8-20)18-15(17(23)29)16(22)25-11-26-18/h3-6,11,14H,2,7-10,24H2,1H3,(H2,23,29)(H,27,30)(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))
BDBM224565
PNG
(US10080750, Compound 248 | US9321760, 248 | US9321...)
Show SMILES Nc1ncnc(N2CC[C@@](N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-13(2-4-14)18-19(26)29-12-30-20(18)31-8-7-22(27,11-31)10-28-21(32)16-6-5-15(24)9-17(16)25/h1-6,9,12H,7-8,10-11,27H2,(H,28,32)(H2,26,29,30)/t22-/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))
BDBM286058
PNG
(US10080750, Compound 249 | US9662330, Compound 249)
Show SMILES Nc1ncnc(N2CC[C@](N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-13(2-4-14)18-19(26)29-12-30-20(18)31-8-7-22(27,11-31)10-28-21(32)16-6-5-15(24)9-17(16)25/h1-6,9,12H,7-8,10-11,27H2,(H,28,32)(H2,26,29,30)/t22-/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))
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))
BDBM224339
PNG
(US10080750, Compound 16 | US9321760, 16 | US966233...)
Show SMILES CN(C)C[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/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))
BDBM224347
PNG
(US10080750, Compound 24 | US9321760, 24 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N6/c24-23(25,26)18-8-6-16(7-9-18)19(14-27)31-10-12-32(13-11-31)22-20(21(28)29-15-30-22)17-4-2-1-3-5-17/h4,6-9,15,19H,1-3,5,10-14,27H2,(H2,28,29,30)
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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))
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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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))
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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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))
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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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))
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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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))
BDBM224404
PNG
(US10080750, Compound 81 | US9321760, 81 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCCC2)c2ccc(F)cc2)c1Cl
Show InChI InChI=1S/C20H26ClFN6/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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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))
BDBM224416
PNG
(US10080750, Compound 93 | US9321760, 93 | US966233...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H30N8O2S/c1-34(32,33)19-5-3-17(4-6-19)20(15-29-7-2-8-29)30-9-11-31(12-10-30)23-21(18-13-27-28-14-18)22(24)25-16-26-23/h3-6,13-14,16,20H,2,7-12,15H2,1H3,(H,27,28)(H2,24,25,26)/t20-/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))
BDBM224427
PNG
(US10080750, Compound 104 | US9321760, 104 | US9662...)
Show SMILES COc1ccc(cc1F)[C@H](CN1CCC1)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H30F2N6O/c1-35-23-8-5-19(15-21(23)28)22(16-32-9-2-10-32)33-11-13-34(14-12-33)26-24(25(29)30-17-31-26)18-3-6-20(27)7-4-18/h3-8,15,17,22H,2,9-14,16H2,1H3,(H2,29,30,31)/t22-/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))
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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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))
BDBM224438
PNG
(US10080750, Compound 115 | US9321760, 115 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc3CCCCc3c2)c1-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C32H43N9/c33-31-30(27-8-9-29(35-21-27)40-14-10-34-11-15-40)32(37-23-36-31)41-18-16-39(17-19-41)28(22-38-12-3-13-38)26-7-6-24-4-1-2-5-25(24)20-26/h6-9,20-21,23,28,34H,1-5,10-19,22H2,(H2,33,36,37)
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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))
BDBM224444
PNG
(US10080750, Compound 121 | US9321760, 121 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(Cl)c(F)c2)c1-c1cn[nH]c1
Show InChI InChI=1S/C22H26ClFN8/c23-17-3-2-15(10-18(17)24)19(13-30-4-1-5-30)31-6-8-32(9-7-31)22-20(16-11-28-29-12-16)21(25)26-14-27-22/h2-3,10-12,14,19H,1,4-9,13H2,(H,28,29)(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))
BDBM224457
PNG
(US10080750, Compound 134 | US9321760, 134 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2cccc(c2Cl)C(F)(F)F)c1-c1cn[nH]c1
Show InChI InChI=1S/C23H26ClF3N8/c24-20-16(3-1-4-17(20)23(25,26)27)18(13-33-5-2-6-33)34-7-9-35(10-8-34)22-19(15-11-31-32-12-15)21(28)29-14-30-22/h1,3-4,11-12,14,18H,2,5-10,13H2,(H,31,32)(H2,28,29,30)
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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))
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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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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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))
BDBM224475
PNG
(US10080750, Compound 153 | US9321760, 153 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N6/c24-18-6-4-15(5-7-18)20-21(29)30-14-31-22(20)33-10-8-32(9-11-33)19(13-28)16-2-1-3-17(12-16)23(25,26)27/h1-7,12,14,19H,8-11,13,28H2,(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))
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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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))
BDBM224488
PNG
(US10080750, Compound 166 | US9321760, 166 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C17H16BrF3N6/c18-14-15(23)24-10-25-16(14)27-6-4-26(5-7-27)13(9-22)11-2-1-3-12(8-11)17(19,20)21/h1-3,8,10,13H,4-7H2,(H2,23,24,25)
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n/an/a 6.10E+3n/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))
BDBM224490
PNG
(US10080750, Compound 168 | US9321760, 168 | US9662...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(C#N)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C23H20F4N6/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,9-12H2,(H2,29,30,31)
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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
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* indicates data uncertainty>20%