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119 similar compounds to monomer 182409

Compile data set for download or QSAR
Wt: 597.6
BDBM182356
Wt: 597.6
BDBM182357
Wt: 615.6
BDBM182358
Wt: 529.5
BDBM182359
Wt: 596.4
BDBM182360
Wt: 611.6
BDBM182361
Wt: 611.6
BDBM182362
Wt: 611.6
BDBM182363
Wt: 543.6
BDBM182364
Wt: 477.5
BDBM182438
Wt: 486.4
BDBM182441
Wt: 531.5
BDBM182507
Wt: 504.4
BDBM182442
Wt: 537.9
BDBM182508
Wt: 521.5
BDBM182510
Displayed 1 to 15 (of 119 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 182356,182357,182358,182359,182360,182361,182362,182363,182364,182438,182441,182507,182442,182508,182510   
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))
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
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))
BDBM182442
PNG
(US9145392, 143)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N8O/c24-16-2-1-13(7-15(16)23(25,26)27)17-10-35(14-8-30-9-14)21(33-17)12-3-5-34(6-4-12)22-18(20(29)36)19(28)31-11-32-22/h1-2,7,10-12,14,30H,3-6,8-9H2,(H2,29,36)(H2,28,31,32)
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n/an/a 16n/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))
BDBM182508
PNG
(US9145392, 209)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H28ClF4N7/c26-21-22(31)32-15-33-24(21)36-9-5-16(6-10-36)23-34-20(14-37(23)12-11-35-7-1-2-8-35)17-3-4-19(27)18(13-17)25(28,29)30/h3-4,13-16H,1-2,5-12H2,(H2,31,32,33)
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n/an/a 3.10n/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))
BDBM182510
PNG
(US9145392, 211)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1F
Show InChI InChI=1S/C25H28F5N7/c26-19-4-3-17(13-18(19)25(28,29)30)20-14-37(12-11-35-7-1-2-8-35)23(34-20)16-5-9-36(10-6-16)24-21(27)22(31)32-15-33-24/h3-4,13-16H,1-2,5-12H2,(H2,31,32,33)
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n/an/a 23n/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))
BDBM182357
PNG
(US9145392, 58)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccccc1F
Show InChI InChI=1S/C31H32F5N7/c32-24-6-2-1-5-22(24)27-28(37)38-19-39-30(27)42-13-9-20(10-14-42)29-40-26(18-43(29)16-15-41-11-3-4-12-41)21-7-8-25(33)23(17-21)31(34,35)36/h1-2,5-8,17-20H,3-4,9-16H2,(H2,37,38,39)
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n/an/a 75n/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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US Patent
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))
BDBM182360
PNG
(US9145392, 61)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C26H30BrF4N7/c27-22-23(32)33-16-34-25(22)37-10-6-17(7-11-37)24-35-21(15-38(24)13-12-36-8-2-1-3-9-36)18-4-5-20(28)19(14-18)26(29,30)31/h4-5,14-17H,1-3,6-13H2,(H2,32,33,34)
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n/an/a 9n/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))
BDBM182362
PNG
(US9145392, 63)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccccc1F
Show InChI InChI=1S/C32H34F5N7/c33-25-7-3-2-6-23(25)28-29(38)39-20-40-31(28)43-14-10-21(11-15-43)30-41-27(19-44(30)17-16-42-12-4-1-5-13-42)22-8-9-26(34)24(18-22)32(35,36)37/h2-3,6-9,18-21H,1,4-5,10-17H2,(H2,38,39,40)
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n/an/a 130n/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))
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))
BDBM182441
PNG
(US9145392, 142)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CNC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C23H22F4N8/c24-18-2-1-14(7-17(18)23(25,26)27)19-11-35(15-9-30-10-15)21(33-19)13-3-5-34(6-4-13)22-16(8-28)20(29)31-12-32-22/h1-2,7,11-13,15,30H,3-6,9-10H2,(H2,29,31,32)
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n/an/a 240n/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))
BDBM182442
PNG
(US9145392, 143)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1C1CNC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F4N8O/c24-16-2-1-13(7-15(16)23(25,26)27)17-10-35(14-8-30-9-14)21(33-17)12-3-5-34(6-4-12)22-18(20(29)36)19(28)31-11-32-22/h1-2,7,10-12,14,30H,3-6,8-9H2,(H2,29,36)(H2,28,31,32)
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n/an/a 670n/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))
BDBM182508
PNG
(US9145392, 209)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H28ClF4N7/c26-21-22(31)32-15-33-24(21)36-9-5-16(6-10-36)23-34-20(14-37(23)12-11-35-7-1-2-8-35)17-3-4-19(27)18(13-17)25(28,29)30/h3-4,13-16H,1-2,5-12H2,(H2,31,32,33)
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n/an/a 2.20n/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))
BDBM182510
PNG
(US9145392, 211)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1F
Show InChI InChI=1S/C25H28F5N7/c26-19-4-3-17(13-18(19)25(28,29)30)20-14-37(12-11-35-7-1-2-8-35)23(34-20)16-5-9-36(10-6-16)24-21(27)22(31)32-15-33-24/h3-4,13-16H,1-2,5-12H2,(H2,31,32,33)
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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
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))
BDBM182357
PNG
(US9145392, 58)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccccc1F
Show InChI InChI=1S/C31H32F5N7/c32-24-6-2-1-5-22(24)27-28(37)38-19-39-30(27)42-13-9-20(10-14-42)29-40-26(18-43(29)16-15-41-11-3-4-12-41)21-7-8-25(33)23(17-21)31(34,35)36/h1-2,5-8,17-20H,3-4,9-16H2,(H2,37,38,39)
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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))
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))
BDBM182360
PNG
(US9145392, 61)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C26H30BrF4N7/c27-22-23(32)33-16-34-25(22)37-10-6-17(7-11-37)24-35-21(15-38(24)13-12-36-8-2-1-3-9-36)18-4-5-20(28)19(14-18)26(29,30)31/h4-5,14-17H,1-3,6-13H2,(H2,32,33,34)
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n/an/a 2.80n/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))
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))
BDBM182362
PNG
(US9145392, 63)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCCC2)-c2ccc(F)c(c2)C(F)(F)F)c1-c1ccccc1F
Show InChI InChI=1S/C32H34F5N7/c33-25-7-3-2-6-23(25)28-29(38)39-20-40-31(28)43-14-10-21(11-15-43)30-41-27(19-44(30)17-16-42-12-4-1-5-13-42)22-8-9-26(34)24(18-22)32(35,36)37/h2-3,6-9,18-21H,1,4-5,10-17H2,(H2,38,39,40)
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n/an/a 5.10n/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))
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))
BDBM182441
PNG
(US9145392, 142)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2C2CNC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N
Show InChI InChI=1S/C23H22F4N8/c24-18-2-1-14(7-17(18)23(25,26)27)19-11-35(15-9-30-10-15)21(33-19)13-3-5-34(6-4-13)22-16(8-28)20(29)31-12-32-22/h1-2,7,11-13,15,30H,3-6,9-10H2,(H2,29,31,32)
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n/an/a 6.40n/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