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82 similar compounds to monomer 182489

Compile data set for download or QSAR
Wt: 529.5
BDBM182359
Wt: 596.4
BDBM182360
Wt: 611.6
BDBM182361
Wt: 543.6
BDBM182364
Wt: 531.5
BDBM182507
Wt: 537.9
BDBM182508
Wt: 521.5
BDBM182510
Wt: 503.5
BDBM182513
Wt: 548.8
BDBM182565
Wt: 564.4
BDBM182566
Wt: 548.8
BDBM182567
Wt: 485.5
BDBM182569
Wt: 517.5
BDBM182365
Wt: 545.6
BDBM182575
Wt: 556.3
BDBM182366
Displayed 1 to 15 (of 82 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 182359,182360,182361,182364,182507,182508,182510,182513,182565,182566,182567,182569,182365,182575,182366   
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))
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))
BDBM182366
PNG
(US9145392, 67)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26BrF4N7/c1-33(2)9-10-35-12-18(15-3-4-17(25)16(11-15)23(26,27)28)32-21(35)14-5-7-34(8-6-14)22-19(24)20(29)30-13-31-22/h3-4,11-14H,5-10H2,1-2H3,(H2,29,30,31)
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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))
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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182513
PNG
(US9145392, 214)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c26-20-4-3-18(13-19(20)25(27,28)29)21-15-36(12-11-34-7-1-2-8-34)24(33-21)17-5-9-35(10-6-17)23-14-22(30)31-16-32-23/h3-4,13-17H,1-2,5-12H2,(H2,30,31,32)
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n/an/a 50n/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))
BDBM182565
PNG
(US9145392, 266)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(Cl)c(F)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
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n/an/a 3.30n/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))
BDBM182566
PNG
(US9145392, 267)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C25H29BrF3N7/c26-21-22(30)31-16-32-24(21)35-10-6-17(7-11-35)23-33-20(15-36(23)13-12-34-8-1-2-9-34)18-4-3-5-19(14-18)25(27,28)29/h3-5,14-17H,1-2,6-13H2,(H2,30,31,32)
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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))
BDBM182567
PNG
(US9145392, 268)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(Cl)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-19(27)18(26)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
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n/an/a 1.40n/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
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM182569
PNG
(US9145392, 270)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7/c26-25(27,28)20-5-3-18(4-6-20)21-16-35(14-13-33-9-1-2-10-33)24(32-21)19-7-11-34(12-8-19)23-15-22(29)30-17-31-23/h3-6,15-17,19H,1-2,7-14H2,(H2,29,30,31)
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n/an/a 360n/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))
BDBM182575
PNG
(US9145392, 276)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H35F4N7/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/h6-7,16-19H,2-5,8-15H2,1H3,(H2,33,34,35)
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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
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))
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))
BDBM182365
PNG
(US9145392, 66)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c27-21-5-4-19(14-20(21)26(28,29)30)22-16-37(13-12-35-8-2-1-3-9-35)25(34-22)18-6-10-36(11-7-18)24-15-23(31)32-17-33-24/h4-5,14-18H,1-3,6-13H2,(H2,31,32,33)
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n/an/a 410n/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))
BDBM182366
PNG
(US9145392, 67)
Show SMILES CN(C)CCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H26BrF4N7/c1-33(2)9-10-35-12-18(15-3-4-17(25)16(11-15)23(26,27)28)32-21(35)14-5-7-34(8-6-14)22-19(24)20(29)30-13-31-22/h3-4,11-14H,5-10H2,1-2H3,(H2,29,30,31)
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n/an/a 9.30n/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182513
PNG
(US9145392, 214)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H29F4N7/c26-20-4-3-18(13-19(20)25(27,28)29)21-15-36(12-11-34-7-1-2-8-34)24(33-21)17-5-9-35(10-6-17)23-14-22(30)31-16-32-23/h3-4,13-17H,1-2,5-12H2,(H2,30,31,32)
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n/an/a 180n/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))
BDBM182565
PNG
(US9145392, 266)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(Cl)c(F)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
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US Patent
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))
BDBM182566
PNG
(US9145392, 267)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C25H29BrF3N7/c26-21-22(30)31-16-32-24(21)35-10-6-17(7-11-35)23-33-20(15-36(23)13-12-34-8-1-2-9-34)18-4-3-5-19(14-18)25(27,28)29/h3-5,14-17H,1-2,6-13H2,(H2,30,31,32)
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US Patent
n/an/a 4.20n/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))
BDBM182567
PNG
(US9145392, 268)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCCC2)-c2ccc(F)c(Cl)c2)c1Br
Show InChI InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-19(27)18(26)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
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US Patent
n/an/a 1.80n/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))
BDBM182569
PNG
(US9145392, 270)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7/c26-25(27,28)20-5-3-18(4-6-20)21-16-35(14-13-33-9-1-2-10-33)24(32-21)19-7-11-34(12-8-19)23-15-22(29)30-17-31-23/h3-6,15-17,19H,1-2,7-14H2,(H2,29,30,31)
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US Patent
n/an/a 1.00E+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))
BDBM182575
PNG
(US9145392, 276)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C28H35F4N7/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/h6-7,16-19H,2-5,8-15H2,1H3,(H2,33,34,35)
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US Patent
n/an/a 9.30n/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))
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))
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))
BDBM182365
PNG
(US9145392, 66)
Show SMILES Nc1cc(ncn1)N1CCC(CC1)c1nc(cn1CCN1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7/c27-21-5-4-19(14-20(21)26(28,29)30)22-16-37(13-12-35-8-2-1-3-9-35)25(34-22)18-6-10-36(11-7-18)24-15-23(31)32-17-33-24/h4-5,14-18H,1-3,6-13H2,(H2,31,32,33)
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n/an/a 110n/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