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Patent code US10287300

Compile Data Set for Download or QSAR
Found 130 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386001
PNG
(US10287300, Compound A8 | {2-(4-Chlorophenyl)-2-[4...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H29ClN6/c1-26(2)14-19(16-5-7-17(22)8-6-16)27-10-12-28(13-11-27)21-18-4-3-9-23-20(18)24-15-25-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,23,24,25)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386002
PNG
(Dimethyl-[2-[4-(5,6,7,8-tetrahydro-pyrido[2,3-d]py...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H29F3N6/c1-29(2)14-19(16-5-7-17(8-6-16)22(23,24)25)30-10-12-31(13-11-30)21-18-4-3-9-26-20(18)27-15-28-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,26,27,28)
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n/an/a 62n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386016
PNG
(2-(4-Fluoro-phenyl)-2-[4-(5,6,7,8-tetrahydro-pyrid...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(F)cc1
Show InChI InChI=1S/C19H25FN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386002
PNG
(Dimethyl-[2-[4-(5,6,7,8-tetrahydro-pyrido[2,3-d]py...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H29F3N6/c1-29(2)14-19(16-5-7-17(8-6-16)22(23,24)25)30-10-12-31(13-11-30)21-18-4-3-9-26-20(18)27-15-28-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,26,27,28)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385993
PNG
(2-(1-(2,3-dihydro-1H-pyrrolo[2,3]pyrimidin-4-yl)pi...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-3-1-13(2-4-14)16(11-23)27-7-9-28(10-8-27)18-15-5-6-24-17(15)25-12-26-18/h1-4,12,16H,5-11,23H2,(H,24,25,26)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386012
PNG
(US10287300, Compound A18 | {2-(4-Chloro-3-fluoro-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H28ClFN6/c1-27(2)13-19(15-5-6-17(22)18(23)12-15)28-8-10-29(11-9-28)21-16-4-3-7-24-20(16)25-14-26-21/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3,(H,24,25,26)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386011
PNG
(2-(4-Chloro-phenyl)-2-[4-(5,6,7,8-tetrahydro-pyrid...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386010
PNG
(2-[4-(5,6,7,8-Tetrahydro-pyrido[2,3-d]pyrimidin-4-...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N6/c21-20(22,23)15-5-3-14(4-6-15)17(12-24)28-8-10-29(11-9-28)19-16-2-1-7-25-18(16)26-13-27-19/h3-6,13,17H,1-2,7-12,24H2,(H,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM385992
PNG
(2-(1-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)pip...)
Show SMILES NCC(C1CCN(CC1)c1ccnc2NCCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N4/c23-22(24,25)17-5-3-15(4-6-17)19(14-26)16-8-12-29(13-9-16)20-7-11-28-21-18(20)2-1-10-27-21/h3-7,11,16,19H,1-2,8-10,12-14,26H2,(H,27,28)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386013
PNG
(US10287300, Compound A19 | {2-(3-Fluoro-4-trifluor...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H28F4N6/c1-30(2)13-19(15-5-6-17(18(23)12-15)22(24,25)26)31-8-10-32(11-9-31)21-16-4-3-7-27-20(16)28-14-29-21/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3,(H,27,28,29)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386013
PNG
(US10287300, Compound A19 | {2-(3-Fluoro-4-trifluor...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C22H28F4N6/c1-30(2)13-19(15-5-6-17(18(23)12-15)22(24,25)26)31-8-10-32(11-9-31)21-16-4-3-7-27-20(16)28-14-29-21/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3,(H,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386006
PNG
(2-(4-Chloro-phenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN6/c19-14-3-1-13(2-4-14)16(11-20)24-7-9-25(10-8-24)18-15-5-6-21-17(15)22-12-23-18/h1-4,12,16H,5-11,20H2,(H,21,22,23)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386010
PNG
(2-[4-(5,6,7,8-Tetrahydro-pyrido[2,3-d]pyrimidin-4-...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N6/c21-20(22,23)15-5-3-14(4-6-15)17(12-24)28-8-10-29(11-9-28)19-16-2-1-7-25-18(16)26-13-27-19/h3-6,13,17H,1-2,7-12,24H2,(H,25,26,27)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM385993
PNG
(2-(1-(2,3-dihydro-1H-pyrrolo[2,3]pyrimidin-4-yl)pi...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-3-1-13(2-4-14)16(11-23)27-7-9-28(10-8-27)18-15-5-6-24-17(15)25-12-26-18/h1-4,12,16H,5-11,23H2,(H,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386014
PNG
(2-(4-fluorophenyl)-2-[4-(7,8-dihydro-6H-pyrimido[5...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN6O/c19-14-3-1-13(2-4-14)15(11-20)24-6-8-25(9-7-24)18-16-17(22-12-23-18)21-5-10-26-16/h1-4,12,15H,5-11,20H2,(H,21,22,23)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386000
PNG
(US10287300, Compound A7 | {2-(4-Chlorophenyl)-2-[4...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN6/c1-25(2)13-18(15-3-5-16(21)6-4-15)26-9-11-27(12-10-26)20-17-7-8-22-19(17)23-14-24-20/h3-6,14,18H,7-13H2,1-2H3,(H,22,23,24)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386020
PNG
(4-{4-[2-dimethylamino-1-(4-chloro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClN7O/c1-26(2)12-16(14-3-5-15(21)6-4-14)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386004
PNG
(2-(4-Chlorophenyl)-2-[4-(7,8-dihydro-6H-pyrimido[5...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN6O/c19-14-3-1-13(2-4-14)15(11-20)24-6-8-25(9-7-24)18-16-17(22-12-23-18)21-5-10-26-16/h1-4,12,15H,5-11,20H2,(H,21,22,23)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386009
PNG
(US10287300, Compound A15 | {2-(4-Chloro-3-fluoro-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C20H26ClFN6/c1-26(2)12-18(14-3-4-16(21)17(22)11-14)27-7-9-28(10-8-27)20-15-5-6-23-19(15)24-13-25-20/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,23,24,25)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386059
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(pyrrolidin-1-...)
Show SMILES Fc1cc(ccc1Cl)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27ClFN7O/c23-16-4-3-15(11-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386001
PNG
(US10287300, Compound A8 | {2-(4-Chlorophenyl)-2-[4...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H29ClN6/c1-26(2)14-19(16-5-7-17(22)8-6-16)27-10-12-28(13-11-27)21-18-4-3-9-23-20(18)24-15-25-21/h5-8,15,19H,3-4,9-14H2,1-2H3,(H,23,24,25)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386014
PNG
(2-(4-fluorophenyl)-2-[4-(7,8-dihydro-6H-pyrimido[5...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN6O/c19-14-3-1-13(2-4-14)15(11-20)24-6-8-25(9-7-24)18-16-17(22-12-23-18)21-5-10-26-16/h1-4,12,15H,5-11,20H2,(H,21,22,23)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386016
PNG
(2-(4-Fluoro-phenyl)-2-[4-(5,6,7,8-tetrahydro-pyrid...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(F)cc1
Show InChI InChI=1S/C19H25FN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386012
PNG
(US10287300, Compound A18 | {2-(4-Chloro-3-fluoro-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H28ClFN6/c1-27(2)13-19(15-5-6-17(22)18(23)12-15)28-8-10-29(11-9-28)21-16-4-3-7-24-20(16)25-14-26-21/h5-6,12,14,19H,3-4,7-11,13H2,1-2H3,(H,24,25,26)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386009
PNG
(US10287300, Compound A15 | {2-(4-Chloro-3-fluoro-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C20H26ClFN6/c1-26(2)12-18(14-3-4-16(21)17(22)11-14)27-7-9-28(10-8-27)20-15-5-6-23-19(15)24-13-25-20/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,23,24,25)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386000
PNG
(US10287300, Compound A7 | {2-(4-Chlorophenyl)-2-[4...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN6/c1-25(2)13-18(15-3-5-16(21)6-4-15)26-9-11-27(12-10-26)20-17-7-8-22-19(17)23-14-24-20/h3-6,14,18H,7-13H2,1-2H3,(H,22,23,24)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM385999
PNG
(US10287300, Compound A6 | [2-[4-(6,7-Dihydro-5H-py...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6/c1-28(2)13-18(15-3-5-16(6-4-15)21(22,23)24)29-9-11-30(12-10-29)20-17-7-8-25-19(17)26-14-27-20/h3-6,14,18H,7-13H2,1-2H3,(H,25,26,27)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386006
PNG
(2-(4-Chloro-phenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN6/c19-14-3-1-13(2-4-14)16(11-20)24-7-9-25(10-8-24)18-15-5-6-21-17(15)22-12-23-18/h1-4,12,16H,5-11,20H2,(H,21,22,23)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385992
PNG
(2-(1-(5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)pip...)
Show SMILES NCC(C1CCN(CC1)c1ccnc2NCCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N4/c23-22(24,25)17-5-3-15(4-6-17)19(14-26)16-8-12-29(13-9-16)20-7-11-28-21-18(20)2-1-10-27-21/h3-7,11,16,19H,1-2,8-10,12-14,26H2,(H,27,28)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386011
PNG
(2-(4-Chloro-phenyl)-2-[4-(5,6,7,8-tetrahydro-pyrid...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCCc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN6/c20-15-5-3-14(4-6-15)17(12-21)25-8-10-26(11-9-25)19-16-2-1-7-22-18(16)23-13-24-19/h3-6,13,17H,1-2,7-12,21H2,(H,22,23,24)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386005
PNG
(US10287300, Compound A12 | [2-[4-(7,8-Dihydro-6H-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N6O/c1-29(2)12-17(14-3-4-15(16(22)11-14)21(23,24)25)30-6-8-31(9-7-30)20-18-19(27-13-28-20)26-5-10-32-18/h3-4,11,13,17H,5-10,12H2,1-2H3,(H,26,27,28)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385998
PNG
(US10287300, Compound A5 | [2-[4-(7,8-Dihydro-6H-py...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O/c1-28(2)13-17(15-3-5-16(6-4-15)21(22,23)24)29-8-10-30(11-9-29)20-18-19(26-14-27-20)25-7-12-31-18/h3-6,14,17H,7-13H2,1-2H3,(H,25,26,27)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385999
PNG
(US10287300, Compound A6 | [2-[4-(6,7-Dihydro-5H-py...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6/c1-28(2)13-18(15-3-5-16(6-4-15)21(22,23)24)29-9-11-30(12-10-29)20-17-7-8-25-19(17)26-14-27-20/h3-6,14,18H,7-13H2,1-2H3,(H,25,26,27)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386056
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(dimethylamino...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C20H25ClFN7O/c1-27(2)11-16(13-3-4-14(21)15(22)9-13)28-5-7-29(8-6-28)20-18-19(24-12-25-20)23-10-17(30)26-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,26,30)(H,23,24,25)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386022
PNG
(4-{4-[2-dimethylamino-1-(4-trifluoromethyl-phenyl)...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N7O/c1-29(2)12-16(14-3-5-15(6-4-14)21(22,23)24)30-7-9-31(10-8-30)20-18-19(26-13-27-20)25-11-17(32)28-18/h3-6,13,16H,7-12H2,1-2H3,(H,28,32)(H,25,26,27)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385996
PNG
(US10287300, Compound A4 | {2-(4-Chlorophenyl)-2-[4...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN6O/c1-25(2)13-17(15-3-5-16(21)6-4-15)26-8-10-27(11-9-26)20-18-19(23-14-24-20)22-7-12-28-18/h3-6,14,17H,7-13H2,1-2H3,(H,22,23,24)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386003
PNG
(2-[4-(7,8-Dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6O/c20-19(21,22)14-3-1-13(2-4-14)15(11-23)27-6-8-28(9-7-27)18-16-17(25-12-26-18)24-5-10-29-16/h1-4,12,15H,5-11,23H2,(H,24,25,26)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386015
PNG
(US10287300, Compound A21 | [2-[4-(6,7-Dihydro-5H-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N6/c1-29(2)12-18(14-3-4-16(17(22)11-14)21(23,24)25)30-7-9-31(10-8-30)20-15-5-6-26-19(15)27-13-28-20/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,26,27,28)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386024
PNG
(4-{4-[1-(4-chloro-phenyl)-2-(pyrrolidin-yl)-ethyl]...)
Show SMILES Clc1ccc(cc1)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28ClN7O/c23-17-5-3-16(4-6-17)18(14-28-7-1-2-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h3-6,15,18H,1-2,7-14H2,(H,27,31)(H,24,25,26)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386027
PNG
(4-{4-[1-(4-chloro-phenyl)-2-(piperidin-yl)-ethyl]-...)
Show SMILES Clc1ccc(cc1)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30ClN7O/c24-18-6-4-17(5-7-18)19(15-29-8-2-1-3-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h4-7,16,19H,1-3,8-15H2,(H,28,32)(H,25,26,27)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386028
PNG
(4-{4-[1-(4-trifluoro-phenyl)-2-(piperidin-yl)-ethy...)
Show SMILES FC(F)(F)c1ccc(cc1)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C24H30F3N7O/c25-24(26,27)18-6-4-17(5-7-18)19(15-32-8-2-1-3-9-32)33-10-12-34(13-11-33)23-21-22(29-16-30-23)28-14-20(35)31-21/h4-7,16,19H,1-3,8-15H2,(H,31,35)(H,28,29,30)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386022
PNG
(4-{4-[2-dimethylamino-1-(4-trifluoromethyl-phenyl)...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N7O/c1-29(2)12-16(14-3-5-15(6-4-14)21(22,23)24)30-7-9-31(10-8-30)20-18-19(26-13-27-20)25-11-17(32)28-18/h3-6,13,16H,7-12H2,1-2H3,(H,28,32)(H,25,26,27)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386008
PNG
(2-[4-(6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN6/c19-14-3-1-13(2-4-14)16(11-20)24-7-9-25(10-8-24)18-15-5-6-21-17(15)22-12-23-18/h1-4,12,16H,5-11,20H2,(H,21,22,23)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386005
PNG
(US10287300, Compound A12 | [2-[4-(7,8-Dihydro-6H-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N6O/c1-29(2)12-17(14-3-4-15(16(22)11-14)21(23,24)25)30-6-8-31(9-7-30)20-18-19(27-13-28-20)26-5-10-32-18/h3-4,11,13,17H,5-10,12H2,1-2H3,(H,26,27,28)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386024
PNG
(4-{4-[1-(4-chloro-phenyl)-2-(pyrrolidin-yl)-ethyl]...)
Show SMILES Clc1ccc(cc1)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28ClN7O/c23-17-5-3-16(4-6-17)18(14-28-7-1-2-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h3-6,15,18H,1-2,7-14H2,(H,27,31)(H,24,25,26)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386060
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(piperidin-1-y...)
Show SMILES Fc1cc(ccc1Cl)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H29ClFN7O/c24-17-5-4-16(12-18(17)25)19(14-30-6-2-1-3-7-30)31-8-10-32(11-9-31)23-21-22(27-15-28-23)26-13-20(33)29-21/h4-5,12,15,19H,1-3,6-11,13-14H2,(H,29,33)(H,26,27,28)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386004
PNG
(2-(4-Chlorophenyl)-2-[4-(7,8-dihydro-6H-pyrimido[5...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN6O/c19-14-3-1-13(2-4-14)15(11-20)24-6-8-25(9-7-24)18-16-17(22-12-23-18)21-5-10-26-16/h1-4,12,15H,5-11,20H2,(H,21,22,23)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386020
PNG
(4-{4-[2-dimethylamino-1-(4-chloro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H26ClN7O/c1-26(2)12-16(14-3-5-15(21)6-4-14)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386003
PNG
(2-[4-(7,8-Dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N6O/c20-19(21,22)14-3-1-13(2-4-14)15(11-23)27-6-8-28(9-7-27)18-16-17(25-12-26-18)24-5-10-29-16/h1-4,12,15H,5-11,23H2,(H,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386008
PNG
(2-[4-(6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H23FN6/c19-14-3-1-13(2-4-14)16(11-20)24-7-9-25(10-8-24)18-15-5-6-21-17(15)22-12-23-18/h1-4,12,16H,5-11,20H2,(H,21,22,23)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386041
PNG
(4-(4-(2-(dimethylamino)-1-(o-tolyl)ethyl)piperazin...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1C
Show InChI InChI=1S/C21H29N7O/c1-15-6-4-5-7-16(15)17(13-26(2)3)27-8-10-28(11-9-27)21-19-20(23-14-24-21)22-12-18(29)25-19/h4-7,14,17H,8-13H2,1-3H3,(H,25,29)(H,22,23,24)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386044
PNG
(4-(4-(2-amino)-1-(3,4-difluorophenyl)ethyl)piperaz...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H21F2N7O/c19-12-2-1-11(7-13(12)20)14(8-21)26-3-5-27(6-4-26)18-16-17(23-10-24-18)22-9-15(28)25-16/h1-2,7,10,14H,3-6,8-9,21H2,(H,25,28)(H,22,23,24)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386049
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(pyrrolidin-1-yl)et...)
Show SMILES Fc1ccc(cc1F)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27F2N7O/c23-16-4-3-15(11-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386052
PNG
(4-(4-(2-(azetidin-1-yl)-1-(3-chloro-4-fluorophenyl...)
Show SMILES Fc1ccc(cc1Cl)C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H25ClFN7O/c22-15-10-14(2-3-16(15)23)17(12-28-4-1-5-28)29-6-8-30(9-7-29)21-19-20(25-13-26-21)24-11-18(31)27-19/h2-3,10,13,17H,1,4-9,11-12H2,(H,27,31)(H,24,25,26)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386053
PNG
(4-(4-(1-(3-chloro-4-fluorophenyl)-2-(pyrrolidin-1-...)
Show SMILES Fc1ccc(cc1Cl)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27ClFN7O/c23-16-11-15(3-4-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386056
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(dimethylamino...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C20H25ClFN7O/c1-27(2)11-16(13-3-4-14(21)15(22)9-13)28-5-7-29(8-6-28)20-18-19(24-12-25-20)23-10-17(30)26-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,26,30)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386057
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(methylamino)e...)
Show SMILES CNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C19H23ClFN7O/c1-22-9-15(12-2-3-13(20)14(21)8-12)27-4-6-28(7-5-27)19-17-18(24-11-25-19)23-10-16(29)26-17/h2-3,8,11,15,22H,4-7,9-10H2,1H3,(H,26,29)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386060
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(piperidin-1-y...)
Show SMILES Fc1cc(ccc1Cl)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H29ClFN7O/c24-17-5-4-16(12-18(17)25)19(14-30-6-2-1-3-7-30)31-8-10-32(11-9-31)23-21-22(27-15-28-23)26-13-20(33)29-21/h4-5,12,15,19H,1-3,6-11,13-14H2,(H,29,33)(H,26,27,28)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386015
PNG
(US10287300, Compound A21 | [2-[4-(6,7-Dihydro-5H-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H26F4N6/c1-29(2)12-18(14-3-4-16(17(22)11-14)21(23,24)25)30-7-9-31(10-8-30)20-15-5-6-26-19(15)27-13-28-20/h3-4,11,13,18H,5-10,12H2,1-2H3,(H,26,27,28)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386033
PNG
(4-(4-(1-(2-fluorophenyl)-2-(piperidin-1-yl)ethyl)p...)
Show SMILES Fc1ccccc1C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30FN7O/c24-18-7-3-2-6-17(18)19(15-29-8-4-1-5-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h2-3,6-7,16,19H,1,4-5,8-15H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386033
PNG
(4-(4-(1-(2-fluorophenyl)-2-(piperidin-1-yl)ethyl)p...)
Show SMILES Fc1ccccc1C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30FN7O/c24-18-7-3-2-6-17(18)19(15-29-8-4-1-5-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h2-3,6-7,16,19H,1,4-5,8-15H2,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386034
PNG
(4-(4-(2-amino-1-(2-chlorophenyl)ethyl)piperazin-1-...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1Cl
Show InChI InChI=1S/C18H22ClN7O/c19-13-4-2-1-3-12(13)14(9-20)25-5-7-26(8-6-25)18-16-17(22-11-23-18)21-10-15(27)24-16/h1-4,11,14H,5-10,20H2,(H,24,27)(H,21,22,23)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386042
PNG
(4-(4-(2-(pyrrolidin-1-yl)-1-(o-tolyl)ethyl)piperaz...)
Show SMILES Cc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H31N7O/c1-17-6-2-3-7-18(17)19(15-28-8-4-5-9-28)29-10-12-30(13-11-29)23-21-22(25-16-26-23)24-14-20(31)27-21/h2-3,6-7,16,19H,4-5,8-15H2,1H3,(H,27,31)(H,24,25,26)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386048
PNG
(4-(4-(2-(azetidin-1-yl)-1-(3,4-difluorophenyl)ethy...)
Show SMILES Fc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H25F2N7O/c22-15-3-2-14(10-16(15)23)17(12-28-4-1-5-28)29-6-8-30(9-7-29)21-19-20(25-13-26-21)24-11-18(31)27-19/h2-3,10,13,17H,1,4-9,11-12H2,(H,27,31)(H,24,25,26)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386052
PNG
(4-(4-(2-(azetidin-1-yl)-1-(3-chloro-4-fluorophenyl...)
Show SMILES Fc1ccc(cc1Cl)C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H25ClFN7O/c22-15-10-14(2-3-16(15)23)17(12-28-4-1-5-28)29-6-8-30(9-7-29)21-19-20(25-13-26-21)24-11-18(31)27-19/h2-3,10,13,17H,1,4-9,11-12H2,(H,27,31)(H,24,25,26)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386061
PNG
(4-(4-(2((2-(dimethylamino)ethyl)amino)-1-(4-(trifl...)
Show SMILES CN(C)CCNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H31F3N8O/c1-32(2)8-7-27-13-18(16-3-5-17(6-4-16)23(24,25)26)33-9-11-34(12-10-33)22-20-21(29-15-30-22)28-14-19(35)31-20/h3-6,15,18,27H,7-14H2,1-2H3,(H,31,35)(H,28,29,30)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386018
PNG
(4-{4-[2-dimethylamino-1-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H26FN7O/c1-26(2)12-16(14-3-5-15(21)6-4-14)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386021
PNG
(4-{4-[2-dimethylamino-1-(3-chloro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN7O/c1-26(2)12-16(14-4-3-5-15(21)10-14)27-6-8-28(9-7-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,25,29)(H,22,23,24)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386031
PNG
(4-(4-(2-(dimethylamino)-1-(2-fluorophenyl)ethyl)pi...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1F
Show InChI InChI=1S/C20H26FN7O/c1-26(2)12-16(14-5-3-4-6-15(14)21)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386041
PNG
(4-(4-(2-(dimethylamino)-1-(o-tolyl)ethyl)piperazin...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1C
Show InChI InChI=1S/C21H29N7O/c1-15-6-4-5-7-16(15)17(13-26(2)3)27-8-10-28(11-9-27)21-19-20(23-14-24-21)22-12-18(29)25-19/h4-7,14,17H,8-13H2,1-3H3,(H,25,29)(H,22,23,24)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386042
PNG
(4-(4-(2-(pyrrolidin-1-yl)-1-(o-tolyl)ethyl)piperaz...)
Show SMILES Cc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H31N7O/c1-17-6-2-3-7-18(17)19(15-28-8-4-5-9-28)29-10-12-30(13-11-29)23-21-22(25-16-26-23)24-14-20(31)27-21/h2-3,6-7,16,19H,4-5,8-15H2,1H3,(H,27,31)(H,24,25,26)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386045
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(dimethylamino)ethy...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H25F2N7O/c1-27(2)11-16(13-3-4-14(21)15(22)9-13)28-5-7-29(8-6-28)20-18-19(24-12-25-20)23-10-17(30)26-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,26,30)(H,23,24,25)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386049
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(pyrrolidin-1-yl)et...)
Show SMILES Fc1ccc(cc1F)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27F2N7O/c23-16-4-3-15(11-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386050
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(piperidin-1-yl)eth...)
Show SMILES Fc1ccc(cc1F)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H29F2N7O/c24-17-5-4-16(12-18(17)25)19(14-30-6-2-1-3-7-30)31-8-10-32(11-9-31)23-21-22(27-15-28-23)26-13-20(33)29-21/h4-5,12,15,19H,1-3,6-11,13-14H2,(H,29,33)(H,26,27,28)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386051
PNG
(4-(4-(1-(3-chloro-4-fluorophenyl)-2-(dimethylamino...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H25ClFN7O/c1-27(2)11-16(13-3-4-15(22)14(21)9-13)28-5-7-29(8-6-28)20-18-19(24-12-25-20)23-10-17(30)26-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,26,30)(H,23,24,25)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386058
PNG
(4-(4-(2-(azetidin-1-yl)-1-(4-chloro-3-fluorophenyl...)
Show SMILES Fc1cc(ccc1Cl)C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H25ClFN7O/c22-15-3-2-14(10-16(15)23)17(12-28-4-1-5-28)29-6-8-30(9-7-29)21-19-20(25-13-26-21)24-11-18(31)27-19/h2-3,10,13,17H,1,4-9,11-12H2,(H,27,31)(H,24,25,26)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386059
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(pyrrolidin-1-...)
Show SMILES Fc1cc(ccc1Cl)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27ClFN7O/c23-16-4-3-15(11-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386062
PNG
(4-(4-(2-((2-(dimethylamino)ethyl)amino)-1-(3-(trif...)
Show SMILES CN(C)CCNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H31F3N8O/c1-32(2)7-6-27-13-18(16-4-3-5-17(12-16)23(24,25)26)33-8-10-34(11-9-33)22-20-21(29-15-30-22)28-14-19(35)31-20/h3-5,12,15,18,27H,6-11,13-14H2,1-2H3,(H,31,35)(H,28,29,30)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386025
PNG
(4-{4-[1-(4-fluoro-phenyl)-2-(piperidin-yl)-ethyl]-...)
Show SMILES Fc1ccc(cc1)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30FN7O/c24-18-6-4-17(5-7-18)19(15-29-8-2-1-3-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h4-7,16,19H,1-3,8-15H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386025
PNG
(4-{4-[1-(4-fluoro-phenyl)-2-(piperidin-yl)-ethyl]-...)
Show SMILES Fc1ccc(cc1)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30FN7O/c24-18-6-4-17(5-7-18)19(15-29-8-2-1-3-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h4-7,16,19H,1-3,8-15H2,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386029
PNG
(4-{4-[2-Pyrrolidin-1-yl-1-(4-trifluoromethyl-pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H28F3N7O/c24-23(25,26)17-5-3-16(4-6-17)18(14-31-7-1-2-8-31)32-9-11-33(12-10-32)22-20-21(28-15-29-22)27-13-19(34)30-20/h3-6,15,18H,1-2,7-14H2,(H,30,34)(H,27,28,29)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386030
PNG
(4-(4-(1-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Fc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28FN7O/c23-17-6-2-1-5-16(17)18(14-28-7-3-4-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h1-2,5-6,15,18H,3-4,7-14H2,(H,27,31)(H,24,25,26)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386040
PNG
(4-(4-(1-(2-chlorophenyl)-2-(piperidin-1-yl)ethyl)p...)
Show SMILES Clc1ccccc1C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30ClN7O/c24-18-7-3-2-6-17(18)19(15-29-8-4-1-5-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h2-3,6-7,16,19H,1,4-5,8-15H2,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386043
PNG
(4-(4-(2-(piperidin-1-yl)-1-(o-tolyl)ethyl)piperazi...)
Show SMILES Cc1ccccc1C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C24H33N7O/c1-18-7-3-4-8-19(18)20(16-29-9-5-2-6-10-29)30-11-13-31(14-12-30)24-22-23(26-17-27-24)25-15-21(32)28-22/h3-4,7-8,17,20H,2,5-6,9-16H2,1H3,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386047
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(methylamino)ethyl)...)
Show SMILES CNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H23F2N7O/c1-22-9-15(12-2-3-13(20)14(21)8-12)27-4-6-28(7-5-27)19-17-18(24-11-25-19)23-10-16(29)26-17/h2-3,8,11,15,22H,4-7,9-10H2,1H3,(H,26,29)(H,23,24,25)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386053
PNG
(4-(4-(1-(3-chloro-4-fluorophenyl)-2-(pyrrolidin-1-...)
Show SMILES Fc1ccc(cc1Cl)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27ClFN7O/c23-16-11-15(3-4-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386063
PNG
(4-(4-(2-((2-(dimethylamino)ethyl)amino)-1-(p-tolyl...)
Show SMILES CN(C)CCNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(C)cc1
Show InChI InChI=1S/C23H34N8O/c1-17-4-6-18(7-5-17)19(14-24-8-9-29(2)3)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-15-20(32)28-21/h4-7,16,19,24H,8-15H2,1-3H3,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM385994
PNG
(2-(1-(6,7-dihydro-5H-cyclopenta[b]pyrimidin-4-yl)p...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2CCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5/c21-20(22,23)15-6-4-14(5-7-15)18(12-24)27-8-10-28(11-9-27)19-16-2-1-3-17(16)25-13-26-19/h4-7,13,18H,1-3,8-12,24H2
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386017
PNG
(2-[1-(7,8-Dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-...)
Show SMILES NCC(C1CCN(CC1)c1ncnc2NCCOc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c21-20(22,23)15-3-1-13(2-4-15)16(11-24)14-5-8-28(9-6-14)19-17-18(26-12-27-19)25-7-10-29-17/h1-4,12,14,16H,5-11,24H2,(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386027
PNG
(4-{4-[1-(4-chloro-phenyl)-2-(piperidin-yl)-ethyl]-...)
Show SMILES Clc1ccc(cc1)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30ClN7O/c24-18-6-4-17(5-7-18)19(15-29-8-2-1-3-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h4-7,16,19H,1-3,8-15H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386031
PNG
(4-(4-(2-(dimethylamino)-1-(2-fluorophenyl)ethyl)pi...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1F
Show InChI InChI=1S/C20H26FN7O/c1-26(2)12-16(14-5-3-4-6-15(14)21)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386034
PNG
(4-(4-(2-amino-1-(2-chlorophenyl)ethyl)piperazin-1-...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1Cl
Show InChI InChI=1S/C18H22ClN7O/c19-13-4-2-1-3-12(13)14(9-20)25-5-7-26(8-6-25)18-16-17(22-11-23-18)21-10-15(27)24-16/h1-4,11,14H,5-10,20H2,(H,24,27)(H,21,22,23)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386036
PNG
(4-(4-(1-(2-chlorophenyl)-2-(methylamino)ethyl)pipe...)
Show SMILES CNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1Cl
Show InChI InChI=1S/C19H24ClN7O/c1-21-10-15(13-4-2-3-5-14(13)20)26-6-8-27(9-7-26)19-17-18(23-12-24-19)22-11-16(28)25-17/h2-5,12,15,21H,6-11H2,1H3,(H,25,28)(H,22,23,24)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386053
PNG
(4-(4-(1-(3-chloro-4-fluorophenyl)-2-(pyrrolidin-1-...)
Show SMILES Fc1ccc(cc1Cl)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27ClFN7O/c23-16-11-15(3-4-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386063
PNG
(4-(4-(2-((2-(dimethylamino)ethyl)amino)-1-(p-tolyl...)
Show SMILES CN(C)CCNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(C)cc1
Show InChI InChI=1S/C23H34N8O/c1-17-4-6-18(7-5-17)19(14-24-8-9-29(2)3)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-15-20(32)28-21/h4-7,16,19,24H,8-15H2,1-3H3,(H,28,32)(H,25,26,27)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386019
PNG
(4-{4-[2-dimethylamino-1-(3-fluoro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1cccc(F)c1
Show InChI InChI=1S/C20H26FN7O/c1-26(2)12-16(14-4-3-5-15(21)10-14)27-6-8-28(9-7-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,25,29)(H,22,23,24)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386028
PNG
(4-{4-[1-(4-trifluoro-phenyl)-2-(piperidin-yl)-ethy...)
Show SMILES FC(F)(F)c1ccc(cc1)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C24H30F3N7O/c25-24(26,27)18-6-4-17(5-7-18)19(15-32-8-2-1-3-9-32)33-10-12-34(13-11-33)23-21-22(29-16-30-23)28-14-20(35)31-21/h4-7,16,19H,1-3,8-15H2,(H,31,35)(H,28,29,30)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386032
PNG
(4-(4-(2-(azetidin-1-yl)-1-(2-fluorophenyl)ethyl)pi...)
Show SMILES Fc1ccccc1C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H26FN7O/c22-16-5-2-1-4-15(16)17(13-27-6-3-7-27)28-8-10-29(11-9-28)21-19-20(24-14-25-21)23-12-18(30)26-19/h1-2,4-5,14,17H,3,6-13H2,(H,26,30)(H,23,24,25)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386037
PNG
(4-(4-(2-(azetidin-1-yl)-1-(2-chlorophenyl)ethyl)pi...)
Show SMILES Clc1ccccc1C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H26ClN7O/c22-16-5-2-1-4-15(16)17(13-27-6-3-7-27)28-8-10-29(11-9-28)21-19-20(24-14-25-21)23-12-18(30)26-19/h1-2,4-5,14,17H,3,6-13H2,(H,26,30)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386037
PNG
(4-(4-(2-(azetidin-1-yl)-1-(2-chlorophenyl)ethyl)pi...)
Show SMILES Clc1ccccc1C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H26ClN7O/c22-16-5-2-1-4-15(16)17(13-27-6-3-7-27)28-8-10-29(11-9-28)21-19-20(24-14-25-21)23-12-18(30)26-19/h1-2,4-5,14,17H,3,6-13H2,(H,26,30)(H,23,24,25)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386044
PNG
(4-(4-(2-amino)-1-(3,4-difluorophenyl)ethyl)piperaz...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H21F2N7O/c19-12-2-1-11(7-13(12)20)14(8-21)26-3-5-27(6-4-26)18-16-17(23-10-24-18)22-9-15(28)25-16/h1-2,7,10,14H,3-6,8-9,21H2,(H,25,28)(H,22,23,24)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386047
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(methylamino)ethyl)...)
Show SMILES CNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H23F2N7O/c1-22-9-15(12-2-3-13(20)14(21)8-12)27-4-6-28(7-5-27)19-17-18(24-11-25-19)23-10-16(29)26-17/h2-3,8,11,15,22H,4-7,9-10H2,1H3,(H,26,29)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386051
PNG
(4-(4-(1-(3-chloro-4-fluorophenyl)-2-(dimethylamino...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H25ClFN7O/c1-27(2)11-16(13-3-4-15(22)14(21)9-13)28-5-7-29(8-6-28)20-18-19(24-12-25-20)23-10-17(30)26-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,26,30)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386053
PNG
(4-(4-(1-(3-chloro-4-fluorophenyl)-2-(pyrrolidin-1-...)
Show SMILES Fc1ccc(cc1Cl)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H27ClFN7O/c23-16-11-15(3-4-17(16)24)18(13-29-5-1-2-6-29)30-7-9-31(10-8-30)22-20-21(26-14-27-22)25-12-19(32)28-20/h3-4,11,14,18H,1-2,5-10,12-13H2,(H,28,32)(H,25,26,27)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM385994
PNG
(2-(1-(6,7-dihydro-5H-cyclopenta[b]pyrimidin-4-yl)p...)
Show SMILES NCC(N1CCN(CC1)c1ncnc2CCCc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5/c21-20(22,23)15-6-4-14(5-7-15)18(12-24)27-8-10-28(11-9-27)19-16-2-1-3-17(16)25-13-26-19/h4-7,13,18H,1-3,8-12,24H2
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386029
PNG
(4-{4-[2-Pyrrolidin-1-yl-1-(4-trifluoromethyl-pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H28F3N7O/c24-23(25,26)17-5-3-16(4-6-17)18(14-31-7-1-2-8-31)32-9-11-33(12-10-32)22-20-21(28-15-29-22)27-13-19(34)30-20/h3-6,15,18H,1-2,7-14H2,(H,30,34)(H,27,28,29)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386032
PNG
(4-(4-(2-(azetidin-1-yl)-1-(2-fluorophenyl)ethyl)pi...)
Show SMILES Fc1ccccc1C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H26FN7O/c22-16-5-2-1-4-15(16)17(13-27-6-3-7-27)28-8-10-29(11-9-28)21-19-20(24-14-25-21)23-12-18(30)26-19/h1-2,4-5,14,17H,3,6-13H2,(H,26,30)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386035
PNG
(4-(4-(1-(2-chlorophenyl)-2-(dimethylamino)ethyl)pi...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1Cl
Show InChI InChI=1S/C20H26ClN7O/c1-26(2)12-16(14-5-3-4-6-15(14)21)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386035
PNG
(4-(4-(1-(2-chlorophenyl)-2-(dimethylamino)ethyl)pi...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1Cl
Show InChI InChI=1S/C20H26ClN7O/c1-26(2)12-16(14-5-3-4-6-15(14)21)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386039
PNG
(4-(4-(1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Clc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28ClN7O/c23-17-6-2-1-5-16(17)18(14-28-7-3-4-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h1-2,5-6,15,18H,3-4,7-14H2,(H,27,31)(H,24,25,26)
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Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386045
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(dimethylamino)ethy...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H25F2N7O/c1-27(2)11-16(13-3-4-14(21)15(22)9-13)28-5-7-29(8-6-28)20-18-19(24-12-25-20)23-10-17(30)26-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3,(H,26,30)(H,23,24,25)
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US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386048
PNG
(4-(4-(2-(azetidin-1-yl)-1-(3,4-difluorophenyl)ethy...)
Show SMILES Fc1ccc(cc1F)C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H25F2N7O/c22-15-3-2-14(10-16(15)23)17(12-28-4-1-5-28)29-6-8-30(9-7-29)21-19-20(25-13-26-21)24-11-18(31)27-19/h2-3,10,13,17H,1,4-9,11-12H2,(H,27,31)(H,24,25,26)
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Assay Description
A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386050
PNG
(4-(4-(1-(3,4-difluorophenyl)-2-(piperidin-1-yl)eth...)
Show SMILES Fc1ccc(cc1F)C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H29F2N7O/c24-17-5-4-16(12-18(17)25)19(14-30-6-2-1-3-7-30)31-8-10-32(11-9-31)23-21-22(27-15-28-23)26-13-20(33)29-21/h4-5,12,15,19H,1-3,6-11,13-14H2,(H,29,33)(H,26,27,28)
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US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386057
PNG
(4-(4-(1-(4-chloro-3-fluorophenyl)-2-(methylamino)e...)
Show SMILES CNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C19H23ClFN7O/c1-22-9-15(12-2-3-13(20)14(21)8-12)27-4-6-28(7-5-27)19-17-18(24-11-25-19)23-10-16(29)26-17/h2-3,8,11,15,22H,4-7,9-10H2,1H3,(H,26,29)(H,23,24,25)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386061
PNG
(4-(4-(2((2-(dimethylamino)ethyl)amino)-1-(4-(trifl...)
Show SMILES CN(C)CCNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H31F3N8O/c1-32(2)8-7-27-13-18(16-3-5-17(6-4-16)23(24,25)26)33-9-11-34(12-10-33)22-20-21(29-15-30-22)28-14-19(35)31-20/h3-6,15,18,27H,7-14H2,1-2H3,(H,31,35)(H,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386019
PNG
(4-{4-[2-dimethylamino-1-(3-fluoro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1cccc(F)c1
Show InChI InChI=1S/C20H26FN7O/c1-26(2)12-16(14-4-3-5-15(21)10-14)27-6-8-28(9-7-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,25,29)(H,22,23,24)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386023
PNG
(4-{4-[1-(4-fluoro-phenyl)-2-(pyrrolidin-yl)-ethyl]...)
Show SMILES Fc1ccc(cc1)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28FN7O/c23-17-5-3-16(4-6-17)18(14-28-7-1-2-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h3-6,15,18H,1-2,7-14H2,(H,27,31)(H,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386023
PNG
(4-{4-[1-(4-fluoro-phenyl)-2-(pyrrolidin-yl)-ethyl]...)
Show SMILES Fc1ccc(cc1)C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28FN7O/c23-17-5-3-16(4-6-17)18(14-28-7-1-2-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h3-6,15,18H,1-2,7-14H2,(H,27,31)(H,24,25,26)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386043
PNG
(4-(4-(2-(piperidin-1-yl)-1-(o-tolyl)ethyl)piperazi...)
Show SMILES Cc1ccccc1C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C24H33N7O/c1-18-7-3-4-8-19(18)20(16-29-9-5-2-6-10-29)30-11-13-31(14-12-30)24-22-23(26-17-27-24)25-15-21(32)28-22/h3-4,7-8,17,20H,2,5-6,9-16H2,1H3,(H,28,32)(H,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386058
PNG
(4-(4-(2-(azetidin-1-yl)-1-(4-chloro-3-fluorophenyl...)
Show SMILES Fc1cc(ccc1Cl)C(CN1CCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C21H25ClFN7O/c22-15-3-2-14(10-16(15)23)17(12-28-4-1-5-28)29-6-8-30(9-7-29)21-19-20(25-13-26-21)24-11-18(31)27-19/h2-3,10,13,17H,1,4-9,11-12H2,(H,27,31)(H,24,25,26)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386062
PNG
(4-(4-(2-((2-(dimethylamino)ethyl)amino)-1-(3-(trif...)
Show SMILES CN(C)CCNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H31F3N8O/c1-32(2)7-6-27-13-18(16-4-3-5-17(12-16)23(24,25)26)33-8-10-34(11-9-33)22-20-21(29-15-30-22)28-14-19(35)31-20/h3-5,12,15,18,27H,6-11,13-14H2,1-2H3,(H,31,35)(H,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM385996
PNG
(US10287300, Compound A4 | {2-(4-Chlorophenyl)-2-[4...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN6O/c1-25(2)13-17(15-3-5-16(21)6-4-15)26-8-10-27(11-9-26)20-18-19(23-14-24-20)22-7-12-28-18/h3-6,14,17H,7-13H2,1-2H3,(H,22,23,24)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM385998
PNG
(US10287300, Compound A5 | [2-[4-(7,8-Dihydro-6H-py...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCCOc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O/c1-28(2)13-17(15-3-5-16(6-4-15)21(22,23)24)29-8-10-30(11-9-29)20-18-19(26-14-27-20)25-7-12-31-18/h3-6,14,17H,7-13H2,1-2H3,(H,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386017
PNG
(2-[1-(7,8-Dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-...)
Show SMILES NCC(C1CCN(CC1)c1ncnc2NCCOc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c21-20(22,23)15-3-1-13(2-4-15)16(11-24)14-5-8-28(9-6-14)19-17-18(26-12-27-19)25-7-10-29-17/h1-4,12,14,16H,5-11,24H2,(H,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386018
PNG
(4-{4-[2-dimethylamino-1-(4-fluoro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H26FN7O/c1-26(2)12-16(14-3-5-15(21)6-4-14)27-7-9-28(10-8-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-6,13,16H,7-12H2,1-2H3,(H,25,29)(H,22,23,24)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386021
PNG
(4-{4-[2-dimethylamino-1-(3-chloro-phenyl)-ethyl]-p...)
Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1cccc(Cl)c1
Show InChI InChI=1S/C20H26ClN7O/c1-26(2)12-16(14-4-3-5-15(21)10-14)27-6-8-28(9-7-27)20-18-19(23-13-24-20)22-11-17(29)25-18/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,25,29)(H,22,23,24)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386030
PNG
(4-(4-(1-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Fc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28FN7O/c23-17-6-2-1-5-16(17)18(14-28-7-3-4-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h1-2,5-6,15,18H,3-4,7-14H2,(H,27,31)(H,24,25,26)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386036
PNG
(4-(4-(1-(2-chlorophenyl)-2-(methylamino)ethyl)pipe...)
Show SMILES CNCC(N1CCN(CC1)c1ncnc2NCC(=O)Nc12)c1ccccc1Cl
Show InChI InChI=1S/C19H24ClN7O/c1-21-10-15(13-4-2-3-5-14(13)20)26-6-8-27(9-7-26)19-17-18(23-12-24-19)22-11-16(28)25-17/h2-5,12,15,21H,6-11H2,1H3,(H,25,28)(H,22,23,24)
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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
Proline-rich AKT1 substrate 1


(Homo sapiens (Human))
BDBM386039
PNG
(4-(4-(1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES Clc1ccccc1C(CN1CCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C22H28ClN7O/c23-17-6-2-1-5-16(17)18(14-28-7-3-4-8-28)29-9-11-30(12-10-29)22-20-21(25-15-26-22)24-13-19(31)27-20/h1-2,5-6,15,18H,3-4,7-14H2,(H,27,31)(H,24,25,26)
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Merck Patent GmbH

US Patent


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


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
P70S6K (T412E)


(Homo sapiens (Human))
BDBM386040
PNG
(4-(4-(1-(2-chlorophenyl)-2-(piperidin-1-yl)ethyl)p...)
Show SMILES Clc1ccccc1C(CN1CCCCC1)N1CCN(CC1)c1ncnc2NCC(=O)Nc12
Show InChI InChI=1S/C23H30ClN7O/c24-18-7-3-2-6-17(18)19(15-29-8-4-1-5-9-29)30-10-12-31(13-11-30)23-21-22(26-16-27-23)25-14-20(32)28-21/h2-3,6-7,16,19H,1,4-5,8-15H2,(H,28,32)(H,25,26,27)
PDB

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Merck Patent GmbH

US Patent


Assay Description
P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...


US Patent US10287300 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%