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142 similar compounds to monomer 182551

Compile data set for download or QSAR
Wt: 557.6
BDBM182553
Wt: 466.0
BDBM182422
Wt: 597.6
BDBM182356
Wt: 615.6
BDBM182358
Wt: 529.5
BDBM182359
Wt: 523.6
BDBM182501
Wt: 611.6
BDBM182361
Wt: 611.6
BDBM182363
Wt: 543.6
BDBM182364
Wt: 428.5
BDBM182430
Wt: 477.5
BDBM182438
Wt: 509.5
BDBM182502
Wt: 491.6
BDBM182503
Wt: 531.5
BDBM182507
Wt: 557.6
BDBM182511
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 182553,182422,182356,182358,182359,182501,182361,182363,182364,182430,182438,182502,182503,182507,182511   
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))
BDBM182430
PNG
(US9145392, 131)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccccc2)c1C#N
Show InChI InChI=1S/C24H28N8/c25-15-20-22(26)27-17-28-24(20)31-11-7-19(8-12-31)23-29-21(18-5-2-1-3-6-18)16-32(23)14-13-30-9-4-10-30/h1-3,5-6,16-17,19H,4,7-14H2,(H2,26,27,28)
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n/an/a 5.70n/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))
BDBM182364
PNG
(US9145392, 65)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C=C
Show InChI InChI=1S/C28H33F4N7/c1-2-21-25(33)34-18-35-27(21)38-12-8-19(9-13-38)26-36-24(17-39(26)15-14-37-10-4-3-5-11-37)20-6-7-23(29)22(16-20)28(30,31)32/h2,6-7,16-19H,1,3-5,8-15H2,(H2,33,34,35)
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n/an/a 5.5n/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))
BDBM182501
PNG
(US9145392, 202)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC2(COC2)C1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H35F2N7O/c1-2-21-25(31)32-18-33-27(21)36-8-5-19(6-9-36)26-34-24(20-3-4-22(29)23(30)13-20)14-37(26)12-11-35-10-7-28(15-35)16-38-17-28/h3-4,13-14,18-19H,2,5-12,15-17H2,1H3,(H2,31,32,33)
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n/an/a 9n/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))
BDBM182502
PNG
(US9145392, 203)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC11COC1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N7O/c1-2-20-24(30)31-17-32-26(20)34-8-5-18(6-9-34)25-33-23(19-3-4-21(28)22(29)13-19)14-35(25)11-12-36-10-7-27(36)15-37-16-27/h3-4,13-14,17-18H,2,5-12,15-16H2,1H3,(H2,30,31,32)
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n/an/a 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))
BDBM182503
PNG
(US9145392, 204)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC11COC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN7O/c1-2-22-24(29)30-18-31-26(22)33-10-7-20(8-11-33)25-32-23(19-3-5-21(28)6-4-19)15-34(25)13-14-35-12-9-27(35)16-36-17-27/h3-6,15,18,20H,2,7-14,16-17H2,1H3,(H2,29,30,31)
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n/an/a 37n/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))
BDBM182507
PNG
(US9145392, 208)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H33F4N7/c1-2-20-24(32)33-17-34-26(20)37-11-7-18(8-12-37)25-35-23(16-38(25)14-13-36-9-3-4-10-36)19-5-6-22(28)21(15-19)27(29,30)31/h5-6,15-18H,2-4,7-14H2,1H3,(H2,32,33,34)
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n/an/a 3.20n/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))
BDBM182511
PNG
(US9145392, 212)
Show SMILES CC(=C)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F4N7/c1-19(2)25-26(34)35-18-36-28(25)39-12-8-20(9-13-39)27-37-24(17-40(27)15-14-38-10-4-3-5-11-38)21-6-7-23(30)22(16-21)29(31,32)33/h6-7,16-18,20H,1,3-5,8-15H2,2H3,(H2,34,35,36)
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n/an/a 6.70n/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))
BDBM182553
PNG
(US9145392, 254 | US9145392, 258)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(c(F)c2)C(F)(F)F)c1C1CCC1
Show InChI InChI=1S/C29H35F4N7/c30-23-16-21(6-7-22(23)29(31,32)33)24-17-40(15-14-38-10-1-2-11-38)27(37-24)20-8-12-39(13-9-20)28-25(19-4-3-5-19)26(34)35-18-36-28/h6-7,16-20H,1-5,8-15H2,(H2,34,35,36)
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n/an/a 8.10n/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))
BDBM182553
PNG
(US9145392, 254 | US9145392, 258)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(c(F)c2)C(F)(F)F)c1C1CCC1
Show InChI InChI=1S/C29H35F4N7/c30-23-16-21(6-7-22(23)29(31,32)33)24-17-40(15-14-38-10-1-2-11-38)27(37-24)20-8-12-39(13-9-20)28-25(19-4-3-5-19)26(34)35-18-36-28/h6-7,16-20H,1-5,8-15H2,(H2,34,35,36)
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n/an/a 36n/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))
BDBM182422
PNG
(US9145392, 279)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H32ClN7/c1-2-21-23(27)28-17-29-25(21)32-11-7-18(8-12-32)24-30-22(19-5-3-6-20(26)15-19)16-33(24)14-13-31-9-4-10-31/h3,5-6,15-18H,2,4,7-14H2,1H3,(H2,27,28,29)
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n/an/a 2.40n/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))
BDBM182356
PNG
(US9145392, 57)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H32F5N7/c32-23-6-3-20(4-7-23)27-28(37)38-19-39-30(27)42-13-9-21(10-14-42)29-40-26(18-43(29)16-15-41-11-1-2-12-41)22-5-8-25(33)24(17-22)31(34,35)36/h3-8,17-19,21H,1-2,9-16H2,(H2,37,38,39)
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n/an/a 140n/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))
BDBM182358
PNG
(US9145392, 59)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C31H31F6N7/c32-23-5-3-20(15-22(23)31(35,36)37)26-17-44(14-13-42-9-1-2-10-42)29(41-26)19-7-11-43(12-8-19)30-27(28(38)39-18-40-30)21-4-6-24(33)25(34)16-21/h3-6,15-19H,1-2,7-14H2,(H2,38,39,40)
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n/an/a 110n/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))
BDBM182359
PNG
(US9145392, 60)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C=C
Show InChI InChI=1S/C27H31F4N7/c1-2-20-24(32)33-17-34-26(20)37-11-7-18(8-12-37)25-35-23(16-38(25)14-13-36-9-3-4-10-36)19-5-6-22(28)21(15-19)27(29,30)31/h2,5-6,15-18H,1,3-4,7-14H2,(H2,32,33,34)
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n/an/a 6.80n/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))
BDBM182361
PNG
(US9145392, 62)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H34F5N7/c33-24-7-4-21(5-8-24)28-29(38)39-20-40-31(28)43-14-10-22(11-15-43)30-41-27(19-44(30)17-16-42-12-2-1-3-13-42)23-6-9-26(34)25(18-23)32(35,36)37/h4-9,18-20,22H,1-3,10-17H2,(H2,38,39,40)
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n/an/a 350n/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))
BDBM182363
PNG
(US9145392, 64)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1cccc(F)c1
Show InChI InChI=1S/C32H34F5N7/c33-24-6-4-5-23(17-24)28-29(38)39-20-40-31(28)43-13-9-21(10-14-43)30-41-27(19-44(30)16-15-42-11-2-1-3-12-42)22-7-8-26(34)25(18-22)32(35,36)37/h4-8,17-21H,1-3,9-16H2,(H2,38,39,40)
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n/an/a 85n/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))
BDBM182364
PNG
(US9145392, 65)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C=C
Show InChI InChI=1S/C28H33F4N7/c1-2-21-25(33)34-18-35-27(21)38-12-8-19(9-13-38)26-36-24(17-39(26)15-14-37-10-4-3-5-11-37)20-6-7-23(29)22(16-20)28(30,31)32/h2,6-7,16-19H,1,3-5,8-15H2,(H2,33,34,35)
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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))
BDBM182430
PNG
(US9145392, 131)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccccc2)c1C#N
Show InChI InChI=1S/C24H28N8/c25-15-20-22(26)27-17-28-24(20)31-11-7-19(8-12-31)23-29-21(18-5-2-1-3-6-18)16-32(23)14-13-30-9-4-10-30/h1-3,5-6,16-17,19H,4,7-14H2,(H2,26,27,28)
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n/an/a 165n/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))
BDBM182501
PNG
(US9145392, 202)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC2(COC2)C1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H35F2N7O/c1-2-21-25(31)32-18-33-27(21)36-8-5-19(6-9-36)26-34-24(20-3-4-22(29)23(30)13-20)14-37(26)12-11-35-10-7-28(15-35)16-38-17-28/h3-4,13-14,18-19H,2,5-12,15-17H2,1H3,(H2,31,32,33)
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n/an/a 89n/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))
BDBM182502
PNG
(US9145392, 203)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC11COC1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N7O/c1-2-20-24(30)31-17-32-26(20)34-8-5-18(6-9-34)25-33-23(19-3-4-21(28)22(29)13-19)14-35(25)11-12-36-10-7-27(36)15-37-16-27/h3-4,13-14,17-18H,2,5-12,15-16H2,1H3,(H2,30,31,32)
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n/an/a 2.50E+3n/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))
BDBM182503
PNG
(US9145392, 204)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC11COC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN7O/c1-2-22-24(29)30-18-31-26(22)33-10-7-20(8-11-33)25-32-23(19-3-5-21(28)6-4-19)15-34(25)13-14-35-12-9-27(35)16-36-17-27/h3-6,15,18,20H,2,7-14,16-17H2,1H3,(H2,29,30,31)
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n/an/a 3.60E+3n/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))
BDBM182507
PNG
(US9145392, 208)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C27H33F4N7/c1-2-20-24(32)33-17-34-26(20)37-11-7-18(8-12-37)25-35-23(16-38(25)14-13-36-9-3-4-10-36)19-5-6-22(28)21(15-19)27(29,30)31/h5-6,15-18H,2-4,7-14H2,1H3,(H2,32,33,34)
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n/an/a 7.60n/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))
BDBM182511
PNG
(US9145392, 212)
Show SMILES CC(=C)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F4N7/c1-19(2)25-26(34)35-18-36-28(25)39-12-8-20(9-13-39)27-37-24(17-40(27)15-14-38-10-4-3-5-11-38)21-6-7-23(30)22(16-21)29(31,32)33/h6-7,16-18,20H,1,3-5,8-15H2,2H3,(H2,34,35,36)
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n/an/a 16n/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))
BDBM182553
PNG
(US9145392, 254 | US9145392, 258)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(c(F)c2)C(F)(F)F)c1C1CCC1
Show InChI InChI=1S/C29H35F4N7/c30-23-16-21(6-7-22(23)29(31,32)33)24-17-40(15-14-38-10-1-2-11-38)27(37-24)20-8-12-39(13-9-20)28-25(19-4-3-5-19)26(34)35-18-36-28/h6-7,16-20H,1-5,8-15H2,(H2,34,35,36)
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n/an/a 9.10n/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))
BDBM182553
PNG
(US9145392, 254 | US9145392, 258)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(c(F)c2)C(F)(F)F)c1C1CCC1
Show InChI InChI=1S/C29H35F4N7/c30-23-16-21(6-7-22(23)29(31,32)33)24-17-40(15-14-38-10-1-2-11-38)27(37-24)20-8-12-39(13-9-20)28-25(19-4-3-5-19)26(34)35-18-36-28/h6-7,16-20H,1-5,8-15H2,(H2,34,35,36)
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n/an/a 380n/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))
BDBM182422
PNG
(US9145392, 279)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H32ClN7/c1-2-21-23(27)28-17-29-25(21)32-11-7-18(8-12-32)24-30-22(19-5-3-6-20(26)15-19)16-33(24)14-13-31-9-4-10-31/h3,5-6,15-18H,2,4,7-14H2,1H3,(H2,27,28,29)
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n/an/a 16n/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))
BDBM182356
PNG
(US9145392, 57)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H32F5N7/c32-23-6-3-20(4-7-23)27-28(37)38-19-39-30(27)42-13-9-21(10-14-42)29-40-26(18-43(29)16-15-41-11-1-2-12-41)22-5-8-25(33)24(17-22)31(34,35)36/h3-8,17-19,21H,1-2,9-16H2,(H2,37,38,39)
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n/an/a 8.20n/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))
BDBM182358
PNG
(US9145392, 59)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C31H31F6N7/c32-23-5-3-20(15-22(23)31(35,36)37)26-17-44(14-13-42-9-1-2-10-42)29(41-26)19-7-11-43(12-8-19)30-27(28(38)39-18-40-30)21-4-6-24(33)25(34)16-21/h3-6,15-19H,1-2,7-14H2,(H2,38,39,40)
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n/an/a 9.60n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182359
PNG
(US9145392, 60)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C=C
Show InChI InChI=1S/C27H31F4N7/c1-2-20-24(32)33-17-34-26(20)37-11-7-18(8-12-37)25-35-23(16-38(25)14-13-36-9-3-4-10-36)19-5-6-22(28)21(15-19)27(29,30)31/h2,5-6,15-18H,1,3-4,7-14H2,(H2,32,33,34)
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n/an/a 2.5n/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))
BDBM182361
PNG
(US9145392, 62)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H34F5N7/c33-24-7-4-21(5-8-24)28-29(38)39-20-40-31(28)43-14-10-22(11-15-43)30-41-27(19-44(30)17-16-42-12-2-1-3-13-42)23-6-9-26(34)25(18-23)32(35,36)37/h4-9,18-20,22H,1-3,10-17H2,(H2,38,39,40)
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n/an/a 18n/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))
BDBM182363
PNG
(US9145392, 64)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1cccc(F)c1
Show InChI InChI=1S/C32H34F5N7/c33-24-6-4-5-23(17-24)28-29(38)39-20-40-31(28)43-13-9-21(10-14-43)30-41-27(19-44(30)16-15-42-11-2-1-3-12-42)22-7-8-26(34)25(18-22)32(35,36)37/h4-8,17-21H,1-3,9-16H2,(H2,38,39,40)
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n/an/a 8.70n/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))
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