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30 similar compounds to monomer 182699

Compile data set for download or QSAR
Wt: 477.5
BDBM182438
Wt: 518.5
BDBM182439
Wt: 500.4
BDBM182440
Wt: 509.9
BDBM182447
Wt: 503.5
BDBM182450
Wt: 505.5
BDBM182381
Wt: 503.5
BDBM182451
Wt: 514.5
BDBM182454
Wt: 532.5
BDBM182455
Wt: 517.5
BDBM182456
Wt: 531.5
BDBM182392
Wt: 517.5
BDBM182529
Wt: 463.5
BDBM182531
Wt: 451.5
BDBM182594
Wt: 479.6
BDBM182595
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 182438,182439,182440,182447,182450,182381,182451,182454,182455,182456,182392,182529,182531,182594,182595   
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))
BDBM182392
PNG
(US9145392, 93)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CC(C)C1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H33F4N7/c1-3-20-24(32)33-16-34-26(20)37-8-6-18(7-9-37)25-35-23(15-38(25)11-10-36-13-17(2)14-36)19-4-5-22(28)21(12-19)27(29,30)31/h4-5,12,15-18H,3,6-11,13-14H2,1-2H3,(H2,32,33,34)
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n/an/a 3n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182381
PNG
(US9145392, 82)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N7/c1-4-18-22(30)31-15-32-24(18)35-9-7-16(8-10-35)23-33-21(14-36(23)12-11-34(2)3)17-5-6-20(26)19(13-17)25(27,28)29/h5-6,13-16H,4,7-12H2,1-3H3,(H2,30,31,32)
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n/an/a 3.70n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182439
PNG
(US9145392, 140)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N8O/c25-17-2-1-15(7-16(17)24(26,27)28)18-11-36(10-13-8-31-9-13)22(34-18)14-3-5-35(6-4-14)23-19(21(30)37)20(29)32-12-33-23/h1-2,7,11-14,31H,3-6,8-10H2,(H2,30,37)(H2,29,32,33)
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n/an/a 2.20n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182440
PNG
(US9145392, 141)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CC2CNC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C24H24F4N8/c25-19-2-1-16(7-18(19)24(26,27)28)20-12-36(11-14-9-31-10-14)22(34-20)15-3-5-35(6-4-15)23-17(8-29)21(30)32-13-33-23/h1-2,7,12-15,31H,3-6,9-11H2,(H2,30,32,33)
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n/an/a 13n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182447
PNG
(US9145392, 148)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CC2CNC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C23H24ClF4N7/c24-19-20(29)31-12-32-22(19)34-5-3-14(4-6-34)21-33-18(11-35(21)10-13-8-30-9-13)15-1-2-17(25)16(7-15)23(26,27)28/h1-2,7,11-14,30H,3-6,8-10H2,(H2,29,31,32)
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n/an/a 4.80n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182450
PNG
(US9145392, 151)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c1-2-18-22(30)32-14-33-24(18)35-7-5-16(6-8-35)23-34-21(13-36(23)12-15-10-31-11-15)17-3-4-20(26)19(9-17)25(27,28)29/h3-4,9,13-16,31H,2,5-8,10-12H2,1H3,(H2,30,32,33)
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n/an/a 2.20n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182451
PNG
(US9145392, 152)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CCN1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c1-2-18-22(30)32-14-33-24(18)35-9-6-15(7-10-35)23-34-21(13-36(23)12-17-5-8-31-17)16-3-4-20(26)19(11-16)25(27,28)29/h3-4,11,13-15,17,31H,2,5-10,12H2,1H3,(H2,30,32,33)
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n/an/a 5.20n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182454
PNG
(US9145392, 155)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CCNCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C25H26F4N8/c26-20-2-1-16(11-19(20)25(27,28)29)21-13-37(17-3-7-32-8-4-17)23(35-21)15-5-9-36(10-6-15)24-18(12-30)22(31)33-14-34-24/h1-2,11,13-15,17,32H,3-10H2,(H2,31,33,34)
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n/an/a 0.900n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182455
PNG
(US9145392, 156)
Show SMILES CN1CC(Cn2cc(nc2C2CCN(CC2)c2ncnc(N)c2C(N)=O)-c2ccc(F)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C25H28F4N8O/c1-35-9-14(10-35)11-37-12-19(16-2-3-18(26)17(8-16)25(27,28)29)34-23(37)15-4-6-36(7-5-15)24-20(22(31)38)21(30)32-13-33-24/h2-3,8,12-15H,4-7,9-11H2,1H3,(H2,31,38)(H2,30,32,33)
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n/an/a 4.90n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182456
PNG
(US9145392, 157)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1C1CCNCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c1-2-19-23(31)33-15-34-25(19)36-11-7-16(8-12-36)24-35-22(14-37(24)18-5-9-32-10-6-18)17-3-4-21(27)20(13-17)26(28,29)30/h3-4,13-16,18,32H,2,5-12H2,1H3,(H2,31,33,34)
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n/an/a 2n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182529
PNG
(US9145392, 230)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c1-2-19-23(31)32-16-33-25(19)36-10-6-17(7-11-36)24-34-22(15-37(24)13-12-35-8-3-9-35)18-4-5-21(27)20(14-18)26(28,29)30/h4-5,14-17H,2-3,6-13H2,1H3,(H2,31,32,33)
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n/an/a 2.10n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182531
PNG
(US9145392, 232)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H34FN7/c1-2-22-24(28)29-18-30-26(22)33-13-9-20(10-14-33)25-31-23(19-5-7-21(27)8-6-19)17-34(25)16-15-32-11-3-4-12-32/h5-8,17-18,20H,2-4,9-16H2,1H3,(H2,28,29,30)
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n/an/a 2.30n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182594
PNG
(US9145392, 295)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C25H34FN7/c1-5-20-23(27)28-16-29-25(20)32-10-8-18(9-11-32)24-30-22(15-33(24)13-12-31(3)4)19-6-7-21(26)17(2)14-19/h6-7,14-16,18H,5,8-13H2,1-4H3,(H2,27,28,29)
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n/an/a 4.10n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182595
PNG
(US9145392, 296)
Show SMILES CCN(CC)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1CC)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H38FN7/c1-5-22-25(29)30-18-31-27(22)34-12-10-20(11-13-34)26-32-24(21-8-9-23(28)19(4)16-21)17-35(26)15-14-33(6-2)7-3/h8-9,16-18,20H,5-7,10-15H2,1-4H3,(H2,29,30,31)
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n/an/a 1.60n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182381
PNG
(US9145392, 82)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H31F4N7/c1-4-18-22(30)31-15-32-24(18)35-9-7-16(8-10-35)23-33-21(14-36(23)12-11-34(2)3)17-5-6-20(26)19(13-17)25(27,28)29/h5-6,13-16H,4,7-12H2,1-3H3,(H2,30,31,32)
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n/an/a 12n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182392
PNG
(US9145392, 93)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CC(C)C1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H33F4N7/c1-3-20-24(32)33-16-34-26(20)37-8-6-18(7-9-37)25-35-23(15-38(25)11-10-36-13-17(2)14-36)19-4-5-22(28)21(12-19)27(29,30)31/h4-5,12,15-18H,3,6-11,13-14H2,1-2H3,(H2,32,33,34)
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n/an/a 7.70n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182438
PNG
(US9145392, 139)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F4N7/c1-2-16-20(29)30-13-31-22(16)33-8-5-14(6-9-33)21-32-19(12-34(21)10-7-28)15-3-4-18(24)17(11-15)23(25,26)27/h3-4,11-14H,2,5-10,28H2,1H3,(H2,29,30,31)
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n/an/a 6.60n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182439
PNG
(US9145392, 140)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N8O/c25-17-2-1-15(7-16(17)24(26,27)28)18-11-36(10-13-8-31-9-13)22(34-18)14-3-5-35(6-4-14)23-19(21(30)37)20(29)32-12-33-23/h1-2,7,11-14,31H,3-6,8-10H2,(H2,30,37)(H2,29,32,33)
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US Patent
n/an/a 27n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182440
PNG
(US9145392, 141)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CC2CNC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C24H24F4N8/c25-19-2-1-16(7-18(19)24(26,27)28)20-12-36(11-14-9-31-10-14)22(34-20)15-3-5-35(6-4-15)23-17(8-29)21(30)32-13-33-23/h1-2,7,12-15,31H,3-6,9-11H2,(H2,30,32,33)
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n/an/a 64.5n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182447
PNG
(US9145392, 148)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CC2CNC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C23H24ClF4N7/c24-19-20(29)31-12-32-22(19)34-5-3-14(4-6-34)21-33-18(11-35(21)10-13-8-30-9-13)15-1-2-17(25)16(7-15)23(26,27)28/h1-2,7,11-14,30H,3-6,8-10H2,(H2,29,31,32)
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n/an/a 16.5n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182450
PNG
(US9145392, 151)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c1-2-18-22(30)32-14-33-24(18)35-7-5-16(6-8-35)23-34-21(13-36(23)12-15-10-31-11-15)17-3-4-20(26)19(9-17)25(27,28)29/h3-4,9,13-16,31H,2,5-8,10-12H2,1H3,(H2,30,32,33)
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n/an/a 19n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182451
PNG
(US9145392, 152)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CCN1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c1-2-18-22(30)32-14-33-24(18)35-9-6-15(7-10-35)23-34-21(13-36(23)12-17-5-8-31-17)16-3-4-20(26)19(11-16)25(27,28)29/h3-4,11,13-15,17,31H,2,5-10,12H2,1H3,(H2,30,32,33)
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n/an/a 280n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182454
PNG
(US9145392, 155)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CCNCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C25H26F4N8/c26-20-2-1-16(11-19(20)25(27,28)29)21-13-37(17-3-7-32-8-4-17)23(35-21)15-5-9-36(10-6-15)24-18(12-30)22(31)33-14-34-24/h1-2,11,13-15,17,32H,3-10H2,(H2,31,33,34)
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n/an/a 160n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182455
PNG
(US9145392, 156)
Show SMILES CN1CC(Cn2cc(nc2C2CCN(CC2)c2ncnc(N)c2C(N)=O)-c2ccc(F)c(c2)C(F)(F)F)C1
Show InChI InChI=1S/C25H28F4N8O/c1-35-9-14(10-35)11-37-12-19(16-2-3-18(26)17(8-16)25(27,28)29)34-23(37)15-4-6-36(7-5-15)24-20(22(31)38)21(30)32-13-33-24/h2-3,8,12-15H,4-7,9-11H2,1H3,(H2,31,38)(H2,30,32,33)
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n/an/a 81n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182456
PNG
(US9145392, 157)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1C1CCNCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c1-2-19-23(31)33-15-34-25(19)36-11-7-16(8-12-36)24-35-22(14-37(24)18-5-9-32-10-6-18)17-3-4-21(27)20(13-17)26(28,29)30/h3-4,13-16,18,32H,2,5-12H2,1H3,(H2,31,33,34)
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n/an/a 190n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182529
PNG
(US9145392, 230)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c1-2-19-23(31)32-16-33-25(19)36-10-6-17(7-11-36)24-34-22(15-37(24)13-12-35-8-3-9-35)18-4-5-21(27)20(14-18)26(28,29)30/h4-5,14-17H,2-3,6-13H2,1H3,(H2,31,32,33)
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n/an/a 4.10n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182531
PNG
(US9145392, 232)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H34FN7/c1-2-22-24(28)29-18-30-26(22)33-13-9-20(10-14-33)25-31-23(19-5-7-21(27)8-6-19)17-34(25)16-15-32-11-3-4-12-32/h5-8,17-18,20H,2-4,9-16H2,1H3,(H2,28,29,30)
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n/an/a 20n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182594
PNG
(US9145392, 295)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN(C)C)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C25H34FN7/c1-5-20-23(27)28-16-29-25(20)32-10-8-18(9-11-32)24-30-22(15-33(24)13-12-31(3)4)19-6-7-21(26)17(2)14-19/h6-7,14-16,18H,5,8-13H2,1-4H3,(H2,27,28,29)
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n/an/a 23n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182595
PNG
(US9145392, 296)
Show SMILES CCN(CC)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1CC)-c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H38FN7/c1-5-22-25(29)30-18-31-27(22)34-12-10-20(11-13-34)26-32-24(21-8-9-23(28)19(4)16-21)17-35(26)15-14-33(6-2)7-3/h8-9,16-18,20H,5-7,10-15H2,1-4H3,(H2,29,30,31)
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n/an/a 2.60n/an/an/an/a7.5n/a



Merck Patent GmbH

US Patent


Assay Description
A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182438
PNG
(US9145392, 139)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H27F4N7/c1-2-16-20(29)30-13-31-22(16)33-8-5-14(6-9-33)21-32-19(12-34(21)10-7-28)15-3-4-18(24)17(11-15)23(25,26)27/h3-4,11-14H,2,5-10,28H2,1H3,(H2,29,30,31)
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n/an/a 1.10n/an/an/an/a7.525



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds are diluted and plated in 96 well plates. A reaction mixture including the following components is then added to the compo...


US Patent US9145392 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86D2
More data for this
Ligand-Target Pair