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15 similar compounds to monomer 182480

Compile data set for download or QSAR
Wt: 525.3
BDBM182465
Wt: 474.6
BDBM182478
Wt: 481.0
BDBM182479
Wt: 472.6
BDBM182481
Wt: 446.5
BDBM182410
Wt: 514.4
BDBM182489
Wt: 551.4
BDBM182425
Wt: 587.8
BDBM182426
Wt: 471.6
BDBM182616
Wt: 457.5
BDBM182617
Wt: 469.5
BDBM182618
Wt: 489.6
BDBM182631
Wt: 475.5
BDBM182640
Wt: 487.5
BDBM182641
Wt: 503.6
BDBM182642

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 182465,182478,182479,182481,182410,182489,182425,182426,182616,182617,182618,182631,182640,182641,182642   
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))
BDBM182410
PNG
(US9145392, 111)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29)
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US Patent
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182642
PNG
(US9145392, 343)
Show SMILES CC(C)(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C27H37N9O/c1-27(2,3)21-15-19(5-8-30-21)20-16-36(14-13-34-9-4-10-34)25(33-20)18-6-11-35(12-7-18)26-22(24(29)37)23(28)31-17-32-26/h5,8,15-18H,4,6-7,9-14H2,1-3H3,(H2,29,37)(H2,28,31,32)
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US Patent
n/an/a 170n/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))
BDBM182426
PNG
(US9145392, 127)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNCCCCl)-c2ccnc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C23H27BrClF3N8/c24-19-20(29)32-14-33-22(19)35-9-3-15(4-10-35)21-34-17(13-36(21)11-8-30-6-1-5-25)16-2-7-31-18(12-16)23(26,27)28/h2,7,12-15,30H,1,3-6,8-11H2,(H2,29,32,33)
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n/an/a 1n/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))
BDBM182465
PNG
(US9145392, 166)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24BrF3N8/c1-27-6-9-33-11-15(14-2-5-28-16(10-14)21(23,24)25)31-19(33)13-3-7-32(8-4-13)20-17(22)18(26)29-12-30-20/h2,5,10-13,27H,3-4,6-9H2,1H3,(H2,26,29,30)
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n/an/a 1.30n/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))
BDBM182478
PNG
(US9145392, 179)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(C)C
Show InChI InChI=1S/C27H38N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h6,9,16-20H,4-5,7-8,10-15H2,1-3H3,(H2,28,30,31)
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n/an/a 1.90n/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))
BDBM182479
PNG
(US9145392, 180)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Cl
Show InChI InChI=1S/C25H33ClN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)
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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))
BDBM182481
PNG
(US9145392, 182)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C=C
Show InChI InChI=1S/C27H36N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h4,6,9,16-20H,1,5,7-8,10-15H2,2-3H3,(H2,28,30,31)
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n/an/a 0.700n/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))
BDBM182489
PNG
(US9145392, 190)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C24H29BrFN7/c1-16-13-18(3-4-19(16)26)20-14-33(12-11-31-7-2-8-31)23(30-20)17-5-9-32(10-6-17)24-21(25)22(27)28-15-29-24/h3-4,13-15,17H,2,5-12H2,1H3,(H2,27,28,29)
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n/an/a 0.100n/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))
BDBM182616
PNG
(US9145392, 317)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C26H33N9/c1-18(2)22-14-20(4-7-29-22)23-16-35(13-12-33-8-3-9-33)25(32-23)19-5-10-34(11-6-19)26-21(15-27)24(28)30-17-31-26/h4,7,14,16-19H,3,5-6,8-13H2,1-2H3,(H2,28,30,31)
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n/an/a 1.70n/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))
BDBM182617
PNG
(US9145392, 318)
Show SMILES CCc1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H31N9/c1-2-20-14-19(4-7-28-20)22-16-34(13-12-32-8-3-9-32)24(31-22)18-5-10-33(11-6-18)25-21(15-26)23(27)29-17-30-25/h4,7,14,16-18H,2-3,5-6,8-13H2,1H3,(H2,27,29,30)
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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))
BDBM182618
PNG
(US9145392, 319)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccnc(c2)C2CC2)c1C#N
Show InChI InChI=1S/C26H31N9/c27-15-21-24(28)30-17-31-26(21)34-10-5-19(6-11-34)25-32-23(16-35(25)13-12-33-8-1-9-33)20-4-7-29-22(14-20)18-2-3-18/h4,7,14,16-19H,1-3,5-6,8-13H2,(H2,28,30,31)
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n/an/a 1.70n/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))
BDBM182631
PNG
(US9145392, 332)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C26H35N9O/c1-17(2)20-14-19(4-7-29-20)21-15-35(13-12-33-8-3-9-33)25(32-21)18-5-10-34(11-6-18)26-22(24(28)36)23(27)30-16-31-26/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,28,36)(H2,27,30,31)
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n/an/a 3.80n/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))
BDBM182640
PNG
(US9145392, 341)
Show SMILES CCc1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H33N9O/c1-2-19-14-18(4-7-28-19)20-15-34(13-12-32-8-3-9-32)24(31-20)17-5-10-33(11-6-17)25-21(23(27)35)22(26)29-16-30-25/h4,7,14-17H,2-3,5-6,8-13H2,1H3,(H2,27,35)(H2,26,29,30)
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n/an/a 11n/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))
BDBM182641
PNG
(US9145392, 342)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C1CC1
Show InChI InChI=1S/C26H33N9O/c27-23-22(24(28)36)26(31-16-30-23)34-10-5-18(6-11-34)25-32-21(15-35(25)13-12-33-8-1-9-33)19-4-7-29-20(14-19)17-2-3-17/h4,7,14-18H,1-3,5-6,8-13H2,(H2,28,36)(H2,27,30,31)
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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))
BDBM182642
PNG
(US9145392, 343)
Show SMILES CC(C)(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C27H37N9O/c1-27(2,3)21-15-19(5-8-30-21)20-16-36(14-13-34-9-4-10-34)25(33-20)18-6-11-35(12-7-18)26-22(24(29)37)23(28)31-17-32-26/h5,8,15-18H,4,6-7,9-14H2,1-3H3,(H2,29,37)(H2,28,31,32)
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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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM182410
PNG
(US9145392, 111)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H34N8/c1-3-21-23(26)28-17-29-25(21)32-11-6-19(7-12-32)24-30-22(20-5-8-27-18(2)15-20)16-33(24)14-13-31-9-4-10-31/h5,8,15-17,19H,3-4,6-7,9-14H2,1-2H3,(H2,26,28,29)
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n/an/a 106n/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))
BDBM182426
PNG
(US9145392, 127)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCNCCCCl)-c2ccnc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C23H27BrClF3N8/c24-19-20(29)32-14-33-22(19)35-9-3-15(4-10-35)21-34-17(13-36(21)11-8-30-6-1-5-25)16-2-7-31-18(12-16)23(26,27)28/h2,7,12-15,30H,1,3-6,8-11H2,(H2,29,32,33)
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n/an/a 2.80n/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))
BDBM182465
PNG
(US9145392, 166)
Show SMILES CNCCn1cc(nc1C1CCN(CC1)c1ncnc(N)c1Br)-c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24BrF3N8/c1-27-6-9-33-11-15(14-2-5-28-16(10-14)21(23,24)25)31-19(33)13-3-7-32(8-4-13)20-17(22)18(26)29-12-30-20/h2,5,10-13,27H,3-4,6-9H2,1H3,(H2,26,29,30)
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n/an/a 1.5n/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))
BDBM182478
PNG
(US9145392, 179)
Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C(C)C
Show InChI InChI=1S/C27H38N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h6,9,16-20H,4-5,7-8,10-15H2,1-3H3,(H2,28,30,31)
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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))
BDBM182479
PNG
(US9145392, 180)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Cl
Show InChI InChI=1S/C25H33ClN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)
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n/an/a 2.40n/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))
BDBM182481
PNG
(US9145392, 182)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C=C
Show InChI InChI=1S/C27H36N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h4,6,9,16-20H,1,5,7-8,10-15H2,2-3H3,(H2,28,30,31)
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n/an/a 2.20n/an/an/an/a7.5n/a



Merck Patent GmbH

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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))
BDBM182425
PNG
(US9145392, 126)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccnc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C23H26BrF3N8/c24-19-20(28)30-14-31-22(19)34-8-3-15(4-9-34)21-32-17(13-35(21)11-10-33-6-1-7-33)16-2-5-29-18(12-16)23(25,26)27/h2,5,12-15H,1,3-4,6-11H2,(H2,28,30,31)
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n/an/a 2.20n/an/an/an/a7.5n/a



Merck Patent GmbH

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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))
BDBM182489
PNG
(US9145392, 190)
Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br
Show InChI InChI=1S/C24H29BrFN7/c1-16-13-18(3-4-19(16)26)20-14-33(12-11-31-7-2-8-31)23(30-20)17-5-9-32(10-6-17)24-21(25)22(27)28-15-29-24/h3-4,13-15,17H,2,5-12H2,1H3,(H2,27,28,29)
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n/an/a 0.100n/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))
BDBM182616
PNG
(US9145392, 317)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C26H33N9/c1-18(2)22-14-20(4-7-29-22)23-16-35(13-12-33-8-3-9-33)25(32-23)19-5-10-34(11-6-19)26-21(15-27)24(28)30-17-31-26/h4,7,14,16-19H,3,5-6,8-13H2,1-2H3,(H2,28,30,31)
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n/an/a 11n/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))
BDBM182617
PNG
(US9145392, 318)
Show SMILES CCc1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C#N
Show InChI InChI=1S/C25H31N9/c1-2-20-14-19(4-7-28-20)22-16-34(13-12-32-8-3-9-32)24(31-22)18-5-10-33(11-6-18)25-21(15-26)23(27)29-17-30-25/h4,7,14,16-18H,2-3,5-6,8-13H2,1H3,(H2,27,29,30)
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n/an/a 15n/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))
BDBM182618
PNG
(US9145392, 319)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccnc(c2)C2CC2)c1C#N
Show InChI InChI=1S/C26H31N9/c27-15-21-24(28)30-17-31-26(21)34-10-5-19(6-11-34)25-32-23(16-35(25)13-12-33-8-1-9-33)20-4-7-29-22(14-20)18-2-3-18/h4,7,14,16-19H,1-3,5-6,8-13H2,(H2,28,30,31)
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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))
BDBM182631
PNG
(US9145392, 332)
Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C26H35N9O/c1-17(2)20-14-19(4-7-29-20)21-15-35(13-12-33-8-3-9-33)25(32-21)18-5-10-34(11-6-18)26-22(24(28)36)23(27)30-16-31-26/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,28,36)(H2,27,30,31)
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n/an/a 37n/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))
BDBM182640
PNG
(US9145392, 341)
Show SMILES CCc1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1C(N)=O
Show InChI InChI=1S/C25H33N9O/c1-2-19-14-18(4-7-28-19)20-15-34(13-12-32-8-3-9-32)24(31-20)17-5-10-33(11-6-17)25-21(23(27)35)22(26)29-16-30-25/h4,7,14-17H,2-3,5-6,8-13H2,1H3,(H2,27,35)(H2,26,29,30)
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n/an/a 450n/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))
BDBM182641
PNG
(US9145392, 342)
Show SMILES NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccnc(c1)C1CC1
Show InChI InChI=1S/C26H33N9O/c27-23-22(24(28)36)26(31-16-30-23)34-10-5-18(6-11-34)25-32-21(15-35(25)13-12-33-8-1-9-33)19-4-7-29-20(14-19)17-2-3-17/h4,7,14-18H,1-3,5-6,8-13H2,(H2,28,36)(H2,27,30,31)
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n/an/a 61n/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))
BDBM182425
PNG
(US9145392, 126)
Show SMILES Nc1ncnc(N2CCC(CC2)c2nc(cn2CCN2CCC2)-c2ccnc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C23H26BrF3N8/c24-19-20(28)30-14-31-22(19)34-8-3-15(4-9-34)21-32-17(13-35(21)11-10-33-6-1-7-33)16-2-5-29-18(12-16)23(25,26)27/h2,5,12-15H,1,3-4,6-11H2,(H2,28,30,31)
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n/an/a 0.5n/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