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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))		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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n/an/a 0.800n/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))		BDBM224487
PNG
(US10080750, Compound 165 | US9321760, 165 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C22H23ClF2N6/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,7-10,12,26H2,(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))		BDBM224485
PNG
(US10080750, Compound 163 | US9321760, 163 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN6/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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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))		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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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))		BDBM224340
PNG
(US10080750, Compound 17 | US9321760, 17 | 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-/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))		BDBM224469
PNG
(US10080750, Compound 147 | US9321760, 147 | US9662...)
Show SMILES CN(C)CCOC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31F2N5O/c1-32(2)15-16-34-24(19-5-9-22(28)10-6-19)20-11-13-33(14-12-20)26-23(25(29)30-17-31-26)18-3-7-21(27)8-4-18/h3-10,17,20,24H,11-16H2,1-2H3,(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))		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))		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))		BDBM224326
PNG
(US10080750, Compound 3 | US9321760, 3 | US9662330,...)
Show SMILES NC[C@@H](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)/t19-/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))		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))		BDBM224526
PNG
(US10080750, Compound 204 | US9321760, 204 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1cccc(F)c1
Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-2-13(8-14)18-19(26)29-12-30-20(18)31-7-6-22(27,11-31)10-28-21(32)16-5-4-15(24)9-17(16)25/h1-5,8-9,12H,6-7,10-11,27H2,(H,28,32)(H2,26,29,30)
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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))		BDBM224330
PNG
(US10080750, Compound 7 | US9321760, 7 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N8/c21-20(22,23)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))		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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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))		BDBM224375
PNG
(US10080750, Compound 52 | US9321760, 52 | US966233...)
Show SMILES NCC(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)
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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))		BDBM224505
PNG
(US10080750, Compound 183 | US9321760, 183 | US9662...)
Show SMILES COc1ccc(cn1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H26FN7O/c1-31-19-7-4-16(13-26-19)18(12-24)29-8-10-30(11-9-29)22-20(21(25)27-14-28-22)15-2-5-17(23)6-3-15/h2-7,13-14,18H,8-12,24H2,1H3,(H2,25,27,28)
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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))		BDBM224348
PNG
(US10080750, Compound 25 | US9321760, 25 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6/c23-22(24,25)17-7-5-15(6-8-17)18(13-26)30-9-11-31(12-10-30)21-19(16-3-1-2-4-16)20(27)28-14-29-21/h3,5-8,14,18H,1-2,4,9-13,26H2,(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))		BDBM224331
PNG
(US10080750, Compound 8 | US9321760, 8 | US9662330,...)
Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N8/c21-20(22,23)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)/t16-/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))		BDBM224483
PNG
(US10080750, Compound 161 | US9321760, 161 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H23ClF2N6/c23-17-11-15(3-6-18(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,7-10,12,26H2,(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))		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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UniChem
US Patent
n/an/a 4.10n/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))		BDBM224350
PNG
(US10080750, Compound 27 | US9321760, 27 | US966233...)
Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C26H28F4N6/c27-21-8-4-19(5-9-21)23-24(31)32-17-33-25(23)36-14-12-35(13-15-36)22(16-34-10-1-11-34)18-2-6-20(7-3-18)26(28,29)30/h2-9,17,22H,1,10-16H2,(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))		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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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))		BDBM224327
PNG
(US10080750, Compound 4 | US9321760, 4 | US9662330,...)
Show SMILES NC[C@H](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)/t19-/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))		BDBM224377
PNG
(US10080750, Compound 54 | US9321760, 54 | 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-/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))		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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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))		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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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))		BDBM224520
PNG
(US10080750, Compound 198 | US9321760, 198 | US9662...)
Show SMILES Nc1ncnc(N2CCC(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)
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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))		BDBM224338
PNG
(US10080750, Compound 15 | US9321760, 15 | US966233...)
Show SMILES CN(C)CC(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)
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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))		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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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))		BDBM224378
PNG
(US10080750, Compound 55 | US9321760, 55 | US966233...)
Show SMILES NCC(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)
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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))		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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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))		BDBM224525
PNG
(US10080750, Compound 203 | US9321760, 203 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1
Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)
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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))		BDBM224332
PNG
(US10080750, Compound 9 | US9321760, 9 | US9662330,...)
Show SMILES NC[C@H](N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N8/c21-20(22,23)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)/t16-/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))		BDBM224360
PNG
(US10080750, Compound 37 | US9321760, 37 | US966233...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cc[nH]c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7/c22-21(23,24)16-3-1-14(2-4-16)17(11-25)30-7-9-31(10-8-30)20-18(15-5-6-27-12-15)19(26)28-13-29-20/h1-6,12-13,17,27H,7-11,25H2,(H2,26,28,29)
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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))		BDBM224324
PNG
(US10080750, Compound 1 | US9321760, 1 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H20BrF3N6/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))		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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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))		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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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))		BDBM224365
PNG
(US10080750, Compound 42 | US9321760, 42 | 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-/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))		BDBM224509
PNG
(US10080750, Compound 187 | US9321760, 187 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C19H22ClFN8/c20-14-2-1-12(7-15(14)21)16(8-22)28-3-5-29(6-4-28)19-17(13-9-26-27-10-13)18(23)24-11-25-19/h1-2,7,9-11,16H,3-6,8,22H2,(H,26,27)(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))		BDBM224329
PNG
(US10080750, Compound 6 | US9321760, 6 | US9662330,...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C22H25FN6/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/h1-9,15,19H,10-14,24H2,(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))		BDBM224336
PNG
(US10080750, Compound 13 | US9321760, 13 | US966233...)
Show SMILES Nc1ncnc(N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21F4N5/c23-18-7-3-16(4-8-18)19-20(27)28-14-29-21(19)31-11-9-30(10-12-31)13-15-1-5-17(6-2-15)22(24,25)26/h1-8,14H,9-13H2,(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))		BDBM224496
PNG
(US10080750, Compound 174 | US9321760, 174 | US9662...)
Show SMILES NCC(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)
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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))		BDBM224524
PNG
(US10080750, Compound 202 | US9321760, 202 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F5N6O/c24-15-5-6-16(17(25)9-15)21(35)31-10-22(30)7-8-34(11-22)20-18(19(29)32-12-33-20)13-1-3-14(4-2-13)23(26,27)28/h1-6,9,12H,7-8,10-11,30H2,(H,31,35)(H2,29,32,33)
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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))		BDBM224523
PNG
(US10080750, Compound 201 | US9321760, 201 | US9662...)
Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1
Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)
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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))		BDBM224516
PNG
(US10080750, Compound 194 | US9321760, 194 | US9662...)
Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H23F4N7/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,7-11,27H2,(H2,28,30,31)
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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))		BDBM224521
PNG
(US10080750, Compound 199 | US9321760, 199 | US9662...)
Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(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))		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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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))		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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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))		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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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))		BDBM224362
PNG
(US10080750, Compound 39 | US9321760, 39 | US966233...)
Show SMILES CCn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N8/c1-2-33-13-16(12-30-33)19-20(27)28-14-29-21(19)32-9-7-31(8-10-32)18(11-26)15-3-5-17(6-4-15)22(23,24)25/h3-6,12-14,18H,2,7-11,26H2,1H3,(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
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* indicates data uncertainty>20%