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Compile Data Set for Download or QSAR

Found 806 hits of ic50 data for polymerid = 465   
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
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM17054
PNG
((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
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n/an/a 5n/an/an/an/a7.530



University of Dundee



Assay Description
In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...


Biochem J 375: 255-62 (2003)


Article DOI: 10.1042/BJ20031119
BindingDB Entry DOI: 10.7270/Q2X928JB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM17054
PNG
((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
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n/an/a 6n/an/an/an/a7.530



University of Dundee



Assay Description
In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...


Structure 12: 215-26 (2004)


Article DOI: 10.1016/j.str.2004.01.005
BindingDB Entry DOI: 10.7270/Q2SJ1HV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.5n/an/an/an/a7.530



University of Dundee



Assay Description
In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...


Biochem J 375: 255-62 (2003)


Article DOI: 10.1042/BJ20031119
BindingDB Entry DOI: 10.7270/Q2X928JB
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281766
PNG
(2-(3-(1H-pyrrolo[2,3-b]pyridin- 3-yl)benzylamino)-...)
Show SMILES Fc1ccc(CNC(=O)c2cccnc2NCc2cccc(c2)-c2c[nH]c3ncccc23)cc1F
Show InChI InChI=1S/C27H21F2N5O/c28-23-9-8-18(13-24(23)29)15-34-27(35)21-7-3-11-31-26(21)32-14-17-4-1-5-19(12-17)22-16-33-25-20(22)6-2-10-30-25/h1-13,16H,14-15H2,(H,30,33)(H,31,32)(H,34,35)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281767
PNG
(2-(3-(1H-pyrrolo[2,3-b]pyridin- 3-yl)benzylamino)-...)
Show SMILES Fc1ccc(CNC(=O)c2cccnc2NCc2cccc(c2)-c2c[nH]c3ncccc23)cc1
Show InChI InChI=1S/C27H22FN5O/c28-21-10-8-18(9-11-21)15-33-27(34)23-7-3-13-30-26(23)31-16-19-4-1-5-20(14-19)24-17-32-25-22(24)6-2-12-29-25/h1-14,17H,15-16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281781
PNG
(2-(3-(1H-pyrrolo[2,3-b]pyridin- 3-yl)benzylamino)-...)
Show SMILES Fc1ccc(CNC(=O)c2ccccc2NCc2cccc(c2)-c2c[nH]c3ncccc23)cc1F
Show InChI InChI=1S/C28H22F2N4O/c29-24-11-10-19(14-25(24)30)16-34-28(35)22-7-1-2-9-26(22)32-15-18-5-3-6-20(13-18)23-17-33-27-21(23)8-4-12-31-27/h1-14,17,32H,15-16H2,(H,31,33)(H,34,35)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281792
PNG
(2-({[5-(4-aminopyrido[3,4-d] pyrimidin-6-yl)thioph...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H22F2N6OS/c1-15(16-4-7-21(28)22(29)12-16)35-27(36)19-3-2-10-31-26(19)32-13-18-6-9-24(37-18)17-5-8-23-20(11-17)25(30)34-14-33-23/h2-12,14-15H,13H2,1H3,(H,31,32)(H,35,36)(H2,30,33,34)/t15-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281793
PNG
((S)-N-(1-(4-fluorophenyl)ethyl)- 2-(((5-(4-(2-hydr...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(NCCO)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27FN6O2S/c1-18(19-4-7-21(30)8-5-19)36-29(38)23-3-2-12-31-27(23)33-16-22-9-11-26(39-22)20-6-10-25-24(15-20)28(32-13-14-37)35-17-34-25/h2-12,15,17-18,37H,13-14,16H2,1H3,(H,31,33)(H,36,38)(H,32,34,35)/t18-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281802
PNG
(N-(1-(3,4-difluorophenyl)ethyl)- 2-(((5-(1-methyl-...)
Show SMILES Cn1cnc2cnc3ccc(cc3c12)-c1ccc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C29H22F2N6OS/c1-37-16-36-25-15-33-24-8-5-18(12-21(24)27(25)37)26-9-6-19(39-26)14-34-28-20(3-2-10-32-28)29(38)35-13-17-4-7-22(30)23(31)11-17/h2-12,15-16H,13-14H2,1H3,(H,32,34)(H,35,38)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281803
PNG
((S)-N-(1-(3,4-difluorophenyl)ethyl)- 2-(((5-(1-met...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncc3ncn(C)c3c2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H24F2N6OS/c1-17(18-5-8-23(31)24(32)13-18)37-30(39)21-4-3-11-33-29(21)35-14-20-7-10-27(40-20)19-6-9-25-22(12-19)28-26(15-34-25)36-16-38(28)2/h3-13,15-17H,14H2,1-2H3,(H,33,35)(H,37,39)/t17-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281804
PNG
(N-(3,4-difluorobenzyl)-2-(((5-(1- methyl-1H-imidaz...)
Show SMILES Cn1cnc2cnc3ccc(cc3c12)-c1ccc(CNc2ncc(cc2C(=O)NCc2ccc(F)c(F)c2)C(F)(F)F)s1
Show InChI InChI=1S/C30H21F5N6OS/c1-41-15-40-25-14-36-24-6-3-17(9-20(24)27(25)41)26-7-4-19(43-26)13-38-28-21(10-18(12-37-28)30(33,34)35)29(42)39-11-16-2-5-22(31)23(32)8-16/h2-10,12,14-15H,11,13H2,1H3,(H,37,38)(H,39,42)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281805
PNG
((S)-5-trifluoromethyl-N-(1-(3,4- difluorophenyl)et...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCc1ccc(s1)-c1ccc2ncc3ncn(C)c3c2c1)C(F)(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C31H23F5N6OS/c1-16(17-3-6-23(32)24(33)10-17)41-30(43)22-11-19(31(34,35)36)12-38-29(22)39-13-20-5-8-27(44-20)18-4-7-25-21(9-18)28-26(14-37-25)40-15-42(28)2/h3-12,14-16H,13H2,1-2H3,(H,38,39)(H,41,43)/t16-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281806
PNG
((S)-5-cyano-N-(1-(4-fluorophenyl) ethyl)-2-(((5-(1...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCc1ccc(s1)-c1ccc2ncc3ncn(C)c3c2c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C31H24FN7OS/c1-18(20-3-6-22(32)7-4-20)38-31(40)25-11-19(13-33)14-35-30(25)36-15-23-8-10-28(41-23)21-5-9-26-24(12-21)29-27(16-34-26)37-17-39(29)2/h3-12,14,16-18H,15H2,1-2H3,(H,35,36)(H,38,40)/t18-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281807
PNG
((S)-2-(3-(4-amino-7H-pyrrolo[2,3- d]pyrimidin-5-yl...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1cccc(c1)-c1c[nH]c2nccc(N)c12)c1ccc(F)cc1
Show InChI InChI=1S/C28H25FN6O/c1-17(19-7-9-21(29)10-8-19)35-28(36)22-6-3-12-31-26(22)33-15-18-4-2-5-20(14-18)23-16-34-27-25(23)24(30)11-13-32-27/h2-14,16-17H,15H2,1H3,(H,31,33)(H,35,36)(H3,30,32,34)/t17-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281808
PNG
((S)-2-(3-(4-amino-7H-pyrrolo[2,3- d]pyrimidin-5-yl...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1cccc(c1)-c1c[nH]c2ncnc(N)c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H23F2N7O/c1-15(17-7-8-21(28)22(29)11-17)36-27(37)19-6-3-9-31-25(19)32-12-16-4-2-5-18(10-16)20-13-33-26-23(20)24(30)34-14-35-26/h2-11,13-15H,12H2,1H3,(H,31,32)(H,36,37)(H3,30,33,34,35)/t15-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281810
PNG
(2-(((5-(1H-pyrazolo[3,4-b]pyridin- 5-yl)thiophen-2...)
Show SMILES Fc1ccc(CNC(=O)c2cccnc2NCc2ccc(s2)-c2cnc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C24H18F2N6OS/c25-19-5-3-14(8-20(19)26)10-30-24(33)18-2-1-7-27-23(18)29-13-17-4-6-21(34-17)15-9-16-12-31-32-22(16)28-11-15/h1-9,11-12H,10,13H2,(H,27,29)(H,30,33)(H,28,31,32)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281813
PNG
(2-(4-(1H-pyrazolo[3,4-b]pyridin- 5-yl)benzylamino)...)
Show SMILES Fc1ccc(CNC(=O)c2cccnc2NCc2ccc(cc2)-c2cnc3[nH]ncc3c2)cc1F
Show InChI InChI=1S/C26H20F2N6O/c27-22-8-5-17(10-23(22)28)13-32-26(35)21-2-1-9-29-25(21)30-12-16-3-6-18(7-4-16)19-11-20-15-33-34-24(20)31-14-19/h1-11,14-15H,12-13H2,(H,29,30)(H,32,35)(H,31,33,34)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281814
PNG
(5-Cyano-N-[(S)-1-(4-fluoro- phenyl)-ethyl]-2-[4-(1...)
Show SMILES Fc1ccc(CNC(=O)c2cc(cnc2NCc2ccc(cc2)-c2cnc3[nH]ncc3c2)C#N)cc1
Show InChI InChI=1S/C27H20FN7O/c28-23-7-3-18(4-8-23)13-33-27(36)24-9-19(11-29)14-31-26(24)30-12-17-1-5-20(6-2-17)21-10-22-16-34-35-25(22)32-15-21/h1-10,14-16H,12-13H2,(H,30,31)(H,33,36)(H,32,34,35)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281815
PNG
(N-(3,4-Difluoro-benzyl)-2-[4- (1H-pyrazolo[3,4-b[p...)
Show SMILES Fc1ccc(CNC(=O)c2cc(cnc2NCc2ccc(cc2)-c2cnc3[nH]ncc3c2)C(F)(F)F)cc1F
Show InChI InChI=1S/C27H19F5N6O/c28-22-6-3-16(7-23(22)29)11-36-26(39)21-9-20(27(30,31)32)14-35-25(21)33-10-15-1-4-17(5-2-15)18-8-19-13-37-38-24(19)34-12-18/h1-9,12-14H,10-11H2,(H,33,35)(H,36,39)(H,34,37,38)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281816
PNG
(2-[4-(4-Amino-7-methyl-7H- pyrrolo[2,3-d]pyrimidin...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(cc1)-c1cn(C)c2ncnc(N)c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C28H25F2N7O/c1-16(19-9-10-22(29)23(30)12-19)36-28(38)20-4-3-11-32-26(20)33-13-17-5-7-18(8-6-17)21-14-37(2)27-24(21)25(31)34-15-35-27/h3-12,14-16H,13H2,1-2H3,(H,32,33)(H,36,38)(H2,31,34,35)/t16-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281817
PNG
(N-[(S)-1-(3,4-Difluoro-phenyl)- ethyl]-2-[4-(1H-py...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(cc1)-c1cnc2[nH]ncc2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H22F2N6O/c1-16(19-8-9-23(28)24(29)12-19)34-27(36)22-3-2-10-30-26(22)31-13-17-4-6-18(7-5-17)20-11-21-15-33-35-25(21)32-14-20/h2-12,14-16H,13H2,1H3,(H,30,31)(H,34,36)(H,32,33,35)/t16-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281819
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2ccc(F)cc2)s1
Show InChI InChI=1S/C26H21FN6OS/c27-18-6-3-16(4-7-18)13-31-26(34)20-2-1-11-29-25(20)30-14-19-8-10-23(35-19)17-5-9-22-21(12-17)24(28)33-15-32-22/h1-12,15H,13-14H2,(H,29,30)(H,31,34)(H2,28,32,33)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281820
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2ccc(F)cc2F)s1
Show InChI InChI=1S/C26H20F2N6OS/c27-17-5-3-16(21(28)11-17)12-32-26(35)19-2-1-9-30-25(19)31-13-18-6-8-23(36-18)15-4-7-22-20(10-15)24(29)34-14-33-22/h1-11,14H,12-13H2,(H,30,31)(H,32,35)(H2,29,33,34)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281821
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cccc(F)c2)s1
Show InChI InChI=1S/C26H21FN6OS/c27-18-4-1-3-16(11-18)13-31-26(34)20-5-2-10-29-25(20)30-14-19-7-9-23(35-19)17-6-8-22-21(12-17)24(28)33-15-32-22/h1-12,15H,13-14H2,(H,29,30)(H,31,34)(H2,28,32,33)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281823
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cc(F)c(F)cc2F)s1
Show InChI InChI=1S/C26H19F3N6OS/c27-19-10-21(29)20(28)9-15(19)11-33-26(36)17-2-1-7-31-25(17)32-12-16-4-6-23(37-16)14-3-5-22-18(8-14)24(30)35-13-34-22/h1-10,13H,11-12H2,(H,31,32)(H,33,36)(H2,30,34,35)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281828
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2F)s1
Show InChI InChI=1S/C26H19F3N6OS/c27-19-6-3-15(22(28)23(19)29)11-33-26(36)17-2-1-9-31-25(17)32-12-16-5-8-21(37-16)14-4-7-20-18(10-14)24(30)35-13-34-20/h1-10,13H,11-12H2,(H,31,32)(H,33,36)(H2,30,34,35)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281833
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cccc(F)c1
Show InChI InChI=1S/C27H23FN6OS/c1-16(17-4-2-5-19(28)12-17)34-27(35)21-6-3-11-30-26(21)31-14-20-8-10-24(36-20)18-7-9-23-22(13-18)25(29)33-15-32-23/h2-13,15-16H,14H2,1H3,(H,30,31)(H,34,35)(H2,29,32,33)/t16-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281835
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cc(F)c(F)c(F)c2)s1
Show InChI InChI=1S/C26H19F3N6OS/c27-19-8-14(9-20(28)23(19)29)11-33-26(36)17-2-1-7-31-25(17)32-12-16-4-6-22(37-16)15-3-5-21-18(10-15)24(30)35-13-34-21/h1-10,13H,11-12H2,(H,31,32)(H,33,36)(H2,30,34,35)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281851
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C26H20F2N6OS/c27-17-8-15(9-18(28)11-17)12-32-26(35)20-2-1-7-30-25(20)31-13-19-4-6-23(36-19)16-3-5-22-21(10-16)24(29)34-14-33-22/h1-11,14H,12-13H2,(H,30,31)(H,32,35)(H2,29,33,34)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281792
PNG
(2-({[5-(4-aminopyrido[3,4-d] pyrimidin-6-yl)thioph...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H22F2N6OS/c1-15(16-4-7-21(28)22(29)12-16)35-27(36)19-3-2-10-31-26(19)32-13-18-6-9-24(37-18)17-5-8-23-20(11-17)25(30)34-14-33-23/h2-12,14-15H,13H2,1H3,(H,31,32)(H,35,36)(H2,30,33,34)/t15-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281871
PNG
((S)-2-(((5-(4-aminoquinazolin-6- yl)thiophen-2-yl)...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cncc(F)c1
Show InChI InChI=1S/C26H22FN7OS/c1-15(17-9-18(27)12-29-11-17)34-26(35)20-3-2-8-30-25(20)31-13-19-5-7-23(36-19)16-4-6-22-21(10-16)24(28)33-14-32-22/h2-12,14-15H,13H2,1H3,(H,30,31)(H,34,35)(H2,28,32,33)/t15-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281874
PNG
((S)-2-(((5-(4-aminoquinazolin-6- yl)thiophen-2-yl)...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H22F2N6OS/c1-15(17-9-18(28)12-19(29)10-17)35-27(36)21-3-2-8-31-26(21)32-13-20-5-7-24(37-20)16-4-6-23-22(11-16)25(30)34-14-33-23/h2-12,14-15H,13H2,1H3,(H,31,32)(H,35,36)(H2,30,33,34)/t15-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281875
PNG
((S)-2-(((5-(4-aminoquinazolin-6- yl)thiophen-2-yl)...)
Show SMILES C[C@H](NC(=O)c1cccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C27H21F3N6OS/c1-14(16-10-20(28)24(30)21(29)11-16)36-27(37)18-3-2-8-32-26(18)33-12-17-5-7-23(38-17)15-4-6-22-19(9-15)25(31)35-13-34-22/h2-11,13-14H,12H2,1H3,(H,32,33)(H,36,37)(H2,31,34,35)/t14-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281877
PNG
(2-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncccc2C(=O)NCc2cncc(F)c2)s1
Show InChI InChI=1S/C25H20FN7OS/c26-17-8-15(10-28-12-17)11-31-25(34)19-2-1-7-29-24(19)30-13-18-4-6-22(35-18)16-3-5-21-20(9-16)23(27)33-14-32-21/h1-10,12,14H,11,13H2,(H,29,30)(H,31,34)(H2,27,32,33)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281880
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2ccc(F)cc2)s1
Show InChI InChI=1S/C25H20FN7OS/c26-17-4-1-15(2-5-17)12-31-25(34)22-24(29-10-9-28-22)30-13-18-6-8-21(35-18)16-3-7-20-19(11-16)23(27)33-14-32-20/h1-11,14H,12-13H2,(H,29,30)(H,31,34)(H2,27,32,33)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281881
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES C[C@H](NC(=O)c1nccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1cccc(F)c1
Show InChI InChI=1S/C26H22FN7OS/c1-15(16-3-2-4-18(27)11-16)34-26(35)23-25(30-10-9-29-23)31-13-19-6-8-22(36-19)17-5-7-21-20(12-17)24(28)33-14-32-21/h2-12,14-15H,13H2,1H3,(H,30,31)(H,34,35)(H2,28,32,33)/t15-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281882
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES C[C@H](NC(=O)c1nccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H22FN7OS/c1-15(16-2-5-18(27)6-3-16)34-26(35)23-25(30-11-10-29-23)31-13-19-7-9-22(36-19)17-4-8-21-20(12-17)24(28)33-14-32-21/h2-12,14-15H,13H2,1H3,(H,30,31)(H,34,35)(H2,28,32,33)/t15-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281883
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2cc(F)c(F)c(F)c2)s1
Show InChI InChI=1S/C25H18F3N7OS/c26-17-7-13(8-18(27)21(17)28)10-33-25(36)22-24(31-6-5-30-22)32-11-15-2-4-20(37-15)14-1-3-19-16(9-14)23(29)35-12-34-19/h1-9,12H,10-11H2,(H,31,32)(H,33,36)(H2,29,34,35)
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n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281885
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2cccc(F)c2)s1
Show InChI InChI=1S/C25H20FN7OS/c26-17-3-1-2-15(10-17)12-31-25(34)22-24(29-9-8-28-22)30-13-18-5-7-21(35-18)16-4-6-20-19(11-16)23(27)33-14-32-20/h1-11,14H,12-13H2,(H,29,30)(H,31,34)(H2,27,32,33)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281887
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2ccc(F)cc2F)s1
Show InChI InChI=1S/C25H19F2N7OS/c26-16-3-1-15(19(27)10-16)11-32-25(35)22-24(30-8-7-29-22)31-12-17-4-6-21(36-17)14-2-5-20-18(9-14)23(28)34-13-33-20/h1-10,13H,11-12H2,(H,30,31)(H,32,35)(H2,28,33,34)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281888
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2nccnc2C(=O)NCc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C25H19F2N7OS/c26-16-7-14(8-17(27)10-16)11-32-25(35)22-24(30-6-5-29-22)31-12-18-2-4-21(36-18)15-1-3-20-19(9-15)23(28)34-13-33-20/h1-10,13H,11-12H2,(H,30,31)(H,32,35)(H2,28,33,34)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281889
PNG
(3-({[5-(4-aminoquinazolin-6- yl)thiophen-2-yl]meth...)
Show SMILES C[C@H](NC(=O)c1nccnc1NCc1ccc(s1)-c1ccc2ncnc(N)c2c1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H21F2N7OS/c1-14(15-2-5-19(27)20(28)11-15)35-26(36)23-25(31-9-8-30-23)32-12-17-4-7-22(37-17)16-3-6-21-18(10-16)24(29)34-13-33-21/h2-11,13-14H,12H2,1H3,(H,31,32)(H,35,36)(H2,29,33,34)/t14-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281893
PNG
(6-cyano-N-(3,4-difluorobenzyl)- 3-(((5-(1-methyl-1...)
Show SMILES Cn1cnc2cnc3ccc(cc3c12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)c(F)c2)C#N)s1
Show InChI InChI=1S/C29H20F2N8OS/c1-39-15-37-24-14-33-23-6-3-17(9-20(23)27(24)39)25-7-4-19(41-25)13-35-28-26(38-18(10-32)12-34-28)29(40)36-11-16-2-5-21(30)22(31)8-16/h2-9,12,14-15H,11,13H2,1H3,(H,34,35)(H,36,40)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281894
PNG
(6-cyano-N-(4-fluorobenzyl)- 3-(((5-(1-methyl-1H-im...)
Show SMILES Cn1cnc2cnc3ccc(cc3c12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)cc2)C#N)s1
Show InChI InChI=1S/C29H21FN8OS/c1-38-16-36-24-15-32-23-8-4-18(10-22(23)27(24)38)25-9-7-21(40-25)14-34-28-26(37-20(11-31)13-33-28)29(39)35-12-17-2-5-19(30)6-3-17/h2-10,13,15-16H,12,14H2,1H3,(H,33,34)(H,35,39)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281895
PNG
(3-(((5-(4-aminoquinazolin-6-yl) thiophen-2-yl)meth...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(CNc2ncc(nc2C(=O)NCc2ccc(F)cc2)C#N)s1
Show InChI InChI=1S/C26H19FN8OS/c27-17-4-1-15(2-5-17)11-32-26(36)23-25(30-12-18(10-28)35-23)31-13-19-6-8-22(37-19)16-3-7-21-20(9-16)24(29)34-14-33-21/h1-9,12,14H,11,13H2,(H,30,31)(H,32,36)(H2,29,33,34)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281902
PNG
(N-cyclopropyl-3-{3- [({3-[(3,4-difluoro- benzyl)ca...)
Show SMILES CC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(F)c(F)c2)cc(c1)-c1c[nH]c2ncc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C34H32F2N6O3/c1-19(2)45-25-11-21(10-22(13-25)28-18-40-32-27(28)14-23(17-39-32)33(43)42-24-6-7-24)16-38-31-26(4-3-9-37-31)34(44)41-15-20-5-8-29(35)30(36)12-20/h3-5,8-14,17-19,24H,6-7,15-16H2,1-2H3,(H,37,38)(H,39,40)(H,41,44)(H,42,43)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281903
PNG
(N-cyclopropyl-3-{3- [({3-[(3-fluorobenzyl) carbamo...)
Show SMILES CC(C)Oc1cc(CNc2ncccc2C(=O)NCc2cccc(F)c2)cc(c1)-c1c[nH]c2ncc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C34H33FN6O3/c1-20(2)44-27-13-22(17-37-31-28(7-4-10-36-31)34(43)40-16-21-5-3-6-25(35)12-21)11-23(14-27)30-19-39-32-29(30)15-24(18-38-32)33(42)41-26-8-9-26/h3-7,10-15,18-20,26H,8-9,16-17H2,1-2H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281912
PNG
(N-cyclopropyl-3-[3-{[(3-{[(1S)- 1-phenylethyl]carb...)
Show SMILES CC(C)Oc1cc(CNc2ncccc2C(=O)N[C@@H](C)c2ccccc2)cc(c1)-c1c[nH]c2ncc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C35H36N6O3/c1-21(2)44-28-15-23(18-37-32-29(10-7-13-36-32)35(43)40-22(3)24-8-5-4-6-9-24)14-25(16-28)31-20-39-33-30(31)17-26(19-38-33)34(42)41-27-11-12-27/h4-10,13-17,19-22,27H,11-12,18H2,1-3H3,(H,36,37)(H,38,39)(H,40,43)(H,41,42)/t22-/m0/s1
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281913
PNG
(N-cyclopropyl-3-[3-{[(3-{[(5- methylfuran-2-yl)met...)
Show SMILES CC(C)Oc1cc(CNc2ncccc2C(=O)NCc2ccc(C)o2)cc(c1)-c1c[nH]c2ncc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C33H34N6O4/c1-19(2)42-26-12-21(15-35-30-27(5-4-10-34-30)33(41)38-17-25-9-6-20(3)43-25)11-22(13-26)29-18-37-31-28(29)14-23(16-36-31)32(40)39-24-7-8-24/h4-6,9-14,16,18-19,24H,7-8,15,17H2,1-3H3,(H,34,35)(H,36,37)(H,38,41)(H,39,40)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM281916
PNG
(US10030016, Example 4.1.17 | US10030016, Example 4...)
Show SMILES CCOC(=O)c1cccnc1NCc1cc(OC(C)C)cc(c1)-c1cn(c2ncc(cc12)C(=O)NC1CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H35N5O6S/c1-4-45-35(42)29-11-8-14-36-32(29)37-19-23-15-24(17-27(16-23)46-22(2)3)31-21-40(47(43,44)28-9-6-5-7-10-28)33-30(31)18-25(20-38-33)34(41)39-26-12-13-26/h5-11,14-18,20-22,26H,4,12-13,19H2,1-3H3,(H,36,37)(H,39,41)
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Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair
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