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Compile Data Set for Download or QSAR

Found 806 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1 (51-359)' AND taxid = 9606   
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
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))
BDBM282375
PNG
((S)-5-cyano-N-(1-(4- fluorophenyl)ethyl)-2- (3-(2-...)
Show SMILES CNc1ncc2cc(ccc2n1)C#CCNc1ncc(cc1C(=O)N[C@@H](C)c1ccc(F)cc1)C#N
Show InChI InChI=1S/C27H22FN7O/c1-17(20-6-8-22(28)9-7-20)34-26(36)23-13-19(14-29)15-32-25(23)31-11-3-4-18-5-10-24-21(12-18)16-33-27(30-2)35-24/h5-10,12-13,15-17H,11H2,1-2H3,(H,31,32)(H,34,36)(H,30,33,35)/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))
BDBM282376
PNG
(N-(3,4-difluorobenzyl)-2- (2-(2-(methylamino)quina...)
Show SMILES CNc1ncc2cc(ccc2n1)C#CCNc1ncc(cc1C(=O)NCc1ccc(F)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C26H19F5N6O/c1-32-25-36-13-17-9-15(5-7-22(17)37-25)3-2-8-33-23-19(11-18(14-34-23)26(29,30)31)24(38)35-12-16-4-6-20(27)21(28)10-16/h4-7,9-11,13-14H,8,12H2,1H3,(H,33,34)(H,35,38)(H,32,36,37)
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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))
BDBM282377
PNG
((S)-2-(3-(2-aminoquinazolin- 6-yl)prop-2-ynylamino...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCC#Cc1ccc2nc(N)ncc2c1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C26H20FN7O/c1-16(19-5-7-21(27)8-6-19)33-25(35)22-12-18(13-28)14-31-24(22)30-10-2-3-17-4-9-23-20(11-17)15-32-26(29)34-23/h4-9,11-12,14-16H,10H2,1H3,(H,30,31)(H,33,35)(H2,29,32,34)/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))
BDBM282378
PNG
((S)-3-(3-(2-aminoquinazolin- 6-yl)prop-2-ynylamino...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCC#Cc1ccc2nc(N)ncc2c1)C#N)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H18F2N8O/c1-14(16-5-6-19(26)20(27)10-16)33-24(36)22-23(31-13-18(11-28)34-22)30-8-2-3-15-4-7-21-17(9-15)12-32-25(29)35-21/h4-7,9-10,12-14H,8H2,1H3,(H,30,31)(H,33,36)(H2,29,32,35)/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))
BDBM282381
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES COc1cc(F)ccc1NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C27H21F4N7O2/c1-40-22-10-18(28)6-7-21(22)36-26(39)20-9-17(27(29,30)31)13-35-24(20)33-11-14-2-4-15(5-3-14)16-8-19-23(32)37-38-25(19)34-12-16/h2-10,12-13H,11H2,1H3,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282382
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2cccc(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H19F4N7O/c27-18-2-1-3-19(10-18)35-25(38)21-9-17(26(28,29)30)13-34-23(21)32-11-14-4-6-15(7-5-14)16-8-20-22(31)36-37-24(20)33-12-16/h1-10,12-13H,11H2,(H,32,34)(H,35,38)(H3,31,33,36,37)
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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))
BDBM282383
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(F)c(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H18F5N7O/c27-20-6-5-17(9-21(20)28)36-25(39)19-8-16(26(29,30)31)12-35-23(19)33-10-13-1-3-14(4-2-13)15-7-18-22(32)37-38-24(18)34-11-15/h1-9,11-12H,10H2,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282384
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCC2CCCC2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N7O/c27-26(28,29)19-10-21(25(37)34-12-15-3-1-2-4-15)23(33-14-19)31-11-16-5-7-17(8-6-16)18-9-20-22(30)35-36-24(20)32-13-18/h5-10,13-15H,1-4,11-12H2,(H,31,33)(H,34,37)(H3,30,32,35,36)
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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))
BDBM282385
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCC2CCCO2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N7O2/c26-25(27,28)17-9-20(24(36)33-13-18-2-1-7-37-18)22(32-12-17)30-10-14-3-5-15(6-4-14)16-8-19-21(29)34-35-23(19)31-11-16/h3-6,8-9,11-12,18H,1-2,7,10,13H2,(H,30,32)(H,33,36)(H3,29,31,34,35)
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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))
BDBM282387
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(F)nc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F4N8O/c26-20-6-5-17(12-31-20)35-24(38)19-8-16(25(27,28)29)11-34-22(19)32-9-13-1-3-14(4-2-13)15-7-18-21(30)36-37-23(18)33-10-15/h1-8,10-12H,9H2,(H,32,34)(H,35,38)(H3,30,33,36,37)
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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))
BDBM282389
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCCC2CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)18-10-20(24(36)30-8-7-14-1-2-14)22(33-13-18)31-11-15-3-5-16(6-4-15)17-9-19-21(29)34-35-23(19)32-12-17/h3-6,9-10,12-14H,1-2,7-8,11H2,(H,30,36)(H,31,33)(H3,29,32,34,35)
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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))
BDBM282393
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCc2cscn2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H19F3N8OS/c25-24(26,27)16-6-19(23(36)32-10-17-11-37-12-33-17)21(31-9-16)29-7-13-1-3-14(4-2-13)15-5-18-20(28)34-35-22(18)30-8-15/h1-6,8-9,11-12H,7,10H2,(H,29,31)(H,32,36)(H3,28,30,34,35)
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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))
BDBM282394
PNG
(US10030016, Example 274)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccccn2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F3N8O/c26-25(27,28)17-10-19(24(37)34-20-3-1-2-8-30-20)22(33-13-17)31-11-14-4-6-15(7-5-14)16-9-18-21(29)35-36-23(18)32-12-16/h1-10,12-13H,11H2,(H,31,33)(H,30,34,37)(H3,29,32,35,36)
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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))
BDBM282396
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(nc2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C26H18F6N8O/c27-25(28,29)16-8-19(24(41)38-17-5-6-20(34-12-17)26(30,31)32)22(37-11-16)35-9-13-1-3-14(4-2-13)15-7-18-21(33)39-40-23(18)36-10-15/h1-8,10-12H,9H2,(H,35,37)(H,38,41)(H3,33,36,39,40)
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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))
BDBM282397
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H23ClF3N7O/c1-15(17-6-8-21(29)9-7-17)37-27(40)23-11-20(28(30,31)32)14-36-25(23)34-12-16-2-4-18(5-3-16)19-10-22-24(33)38-39-26(22)35-13-19/h2-11,13-15H,12H2,1H3,(H,34,36)(H,37,40)(H3,33,35,38,39)/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))
BDBM282398
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2c(F)cc(F)cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C26H17F6N7O/c27-16-7-19(28)21(20(29)8-16)37-25(40)18-6-15(26(30,31)32)11-36-23(18)34-9-12-1-3-13(4-2-12)14-5-17-22(33)38-39-24(17)35-10-14/h1-8,10-11H,9H2,(H,34,36)(H,37,40)(H3,33,35,38,39)
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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))
BDBM282399
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCc2ccc(Cl)cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H21ClF3N7O/c28-20-7-3-16(4-8-20)12-36-26(39)22-10-19(27(29,30)31)14-35-24(22)33-11-15-1-5-17(6-2-15)18-9-21-23(32)37-38-25(21)34-13-18/h1-10,13-14H,11-12H2,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282401
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCc2cccc(Cl)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H21ClF3N7O/c28-20-3-1-2-16(8-20)12-36-26(39)22-10-19(27(29,30)31)14-35-24(22)33-11-15-4-6-17(7-5-15)18-9-21-23(32)37-38-25(21)34-13-18/h1-10,13-14H,11-12H2,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282402
PNG
((S)-2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl)...)
Show SMILES C[C@H](NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F)c1ccc(Br)cc1
Show InChI InChI=1S/C28H23BrF3N7O/c1-15(17-6-8-21(29)9-7-17)37-27(40)23-11-20(28(30,31)32)14-36-25(23)34-12-16-2-4-18(5-3-16)19-10-22-24(33)38-39-26(22)35-13-19/h2-11,13-15H,12H2,1H3,(H,34,36)(H,37,40)(H3,33,35,38,39)/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))
BDBM282406
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCc2ccc(F)c(Cl)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H20ClF4N7O/c28-21-7-15(3-6-22(21)29)11-37-26(40)20-9-18(27(30,31)32)13-36-24(20)34-10-14-1-4-16(5-2-14)17-8-19-23(33)38-39-25(19)35-12-17/h1-9,12-13H,10-11H2,(H,34,36)(H,37,40)(H3,33,35,38,39)
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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))
BDBM282408
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccncc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F3N8O/c26-25(27,28)17-10-20(24(37)34-18-5-7-30-8-6-18)22(33-13-17)31-11-14-1-3-15(4-2-14)16-9-19-21(29)35-36-23(19)32-12-16/h1-10,12-13H,11H2,(H,31,33)(H,30,34,37)(H3,29,32,35,36)
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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))
BDBM282409
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2cccnc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F3N8O/c26-25(27,28)17-9-20(24(37)34-18-2-1-7-30-13-18)22(33-12-17)31-10-14-3-5-15(6-4-14)16-8-19-21(29)35-36-23(19)32-11-16/h1-9,11-13H,10H2,(H,31,33)(H,34,37)(H3,29,32,35,36)
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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))
BDBM282411
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(F)cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C26H18F5N7O/c27-17-5-6-21(20(28)9-17)36-25(39)19-8-16(26(29,30)31)12-35-23(19)33-10-13-1-3-14(4-2-13)15-7-18-22(32)37-38-24(18)34-11-15/h1-9,11-12H,10H2,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282412
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F3N7O/c27-26(28,29)18-11-21(25(37)34-19-4-2-1-3-5-19)23(33-14-18)31-12-15-6-8-16(9-7-15)17-10-20-22(30)35-36-24(20)32-13-17/h1-11,13-14H,12H2,(H,31,33)(H,34,37)(H3,30,32,35,36)
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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))
BDBM282414
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2cccc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H19F6N7O/c28-26(29,30)17-2-1-3-19(9-17)38-25(41)21-10-18(27(31,32)33)13-37-23(21)35-11-14-4-6-15(7-5-14)16-8-20-22(34)39-40-24(20)36-12-16/h1-10,12-13H,11H2,(H,35,37)(H,38,41)(H3,34,36,39,40)
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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))
BDBM282415
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Cc1cc(F)ccc1NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C27H21F4N7O/c1-14-8-19(28)6-7-22(14)36-26(39)21-10-18(27(29,30)31)13-35-24(21)33-11-15-2-4-16(5-3-15)17-9-20-23(32)37-38-25(20)34-12-17/h2-10,12-13H,11H2,1H3,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282416
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(cc2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H19F6N7O/c28-26(29,30)17-5-7-19(8-6-17)38-25(41)21-10-18(27(31,32)33)13-37-23(21)35-11-14-1-3-15(4-2-14)16-9-20-22(34)39-40-24(20)36-12-16/h1-10,12-13H,11H2,(H,35,37)(H,38,41)(H3,34,36,39,40)
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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))
BDBM282417
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NC2CCCCC2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N7O/c27-26(28,29)18-11-21(25(37)34-19-4-2-1-3-5-19)23(33-14-18)31-12-15-6-8-16(9-7-15)17-10-20-22(30)35-36-24(20)32-13-17/h6-11,13-14,19H,1-5,12H2,(H,31,33)(H,34,37)(H3,30,32,35,36)
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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))
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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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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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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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))
BDBM282419
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NC2CCC2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H22F3N7O/c25-24(26,27)16-9-19(23(35)32-17-2-1-3-17)21(31-12-16)29-10-13-4-6-14(7-5-13)15-8-18-20(28)33-34-22(18)30-11-15/h4-9,11-12,17H,1-3,10H2,(H,29,31)(H,32,35)(H3,28,30,33,34)
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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))
BDBM282420
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(cc2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C27H19F3N8O/c28-27(29,30)19-10-22(26(39)36-20-7-3-15(11-31)4-8-20)24(35-14-19)33-12-16-1-5-17(6-2-16)18-9-21-23(32)37-38-25(21)34-13-18/h1-10,13-14H,12H2,(H,33,35)(H,36,39)(H3,32,34,37,38)
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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))
BDBM282421
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES COc1cccc(NC(=O)c2cc(cnc2NCc2ccc(cc2)-c2cnc3[nH]nc(N)c3c2)C(F)(F)F)c1
Show InChI InChI=1S/C27H22F3N7O2/c1-39-20-4-2-3-19(11-20)35-26(38)22-10-18(27(28,29)30)14-34-24(22)32-12-15-5-7-16(8-6-15)17-9-21-23(31)36-37-25(21)33-13-17/h2-11,13-14H,12H2,1H3,(H,32,34)(H,35,38)(H3,31,33,36,37)
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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))
BDBM282422
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NC2CCCC2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)17-10-20(24(36)33-18-3-1-2-4-18)22(32-13-17)30-11-14-5-7-15(8-6-14)16-9-19-21(29)34-35-23(19)31-12-16/h5-10,12-13,18H,1-4,11H2,(H,30,32)(H,33,36)(H3,29,31,34,35)
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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))
BDBM282423
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccncn2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F3N9O/c25-24(26,27)16-8-18(23(37)34-19-5-6-29-12-33-19)21(32-11-16)30-9-13-1-3-14(4-2-13)15-7-17-20(28)35-36-22(17)31-10-15/h1-8,10-12H,9H2,(H,30,32)(H3,28,31,35,36)(H,29,33,34,37)
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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))
BDBM282424
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2ccc(Cl)cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H19ClF3N7O/c27-18-5-7-19(8-6-18)35-25(38)21-10-17(26(28,29)30)13-34-23(21)32-11-14-1-3-15(4-2-14)16-9-20-22(31)36-37-24(20)33-12-16/h1-10,12-13H,11H2,(H,32,34)(H,35,38)(H3,31,33,36,37)
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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))
BDBM282426
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)Nc2cncc(F)c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F4N8O/c26-17-7-18(12-31-11-17)35-24(38)20-6-16(25(27,28)29)10-34-22(20)32-8-13-1-3-14(4-2-13)15-5-19-21(30)36-37-23(19)33-9-15/h1-7,9-12H,8H2,(H,32,34)(H,35,38)(H3,30,33,36,37)
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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))
BDBM282428
PNG
((R)-2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl)...)
Show SMILES Cc1ccc(cc1)[C@H](CO)NC(=O)c1cc(cnc1NCc1ccc(cc1)-c1cnc2[nH]nc(N)c2c1)C(F)(F)F
Show InChI InChI=1S/C29H26F3N7O2/c1-16-2-6-19(7-3-16)24(15-40)37-28(41)23-11-21(29(30,31)32)14-36-26(23)34-12-17-4-8-18(9-5-17)20-10-22-25(33)38-39-27(22)35-13-20/h2-11,13-14,24,40H,12,15H2,1H3,(H,34,36)(H,37,41)(H3,33,35,38,39)/t24-/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))
BDBM282430
PNG
(2-(4-(6-aminopyridin-3-yl) benzylamino)-5-cyano-N-...)
Show SMILES Nc1ccc(cn1)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1
Show InChI InChI=1S/C25H20FN7O/c26-21-7-18(10-29-15-21)13-33-25(34)22-8-17(9-27)12-32-24(22)31-11-16-1-3-19(4-2-16)20-5-6-23(28)30-14-20/h1-8,10,12,14-15H,11,13H2,(H2,28,30)(H,31,32)(H,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))
BDBM282431
PNG
(2-(4-(3-amino-1H-pyrazolo [3,4-b]pyridin-5-yl) ben...)
Show SMILES Nc1n[nH]c2ncc(cc12)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1
Show InChI InChI=1S/C26H20FN9O/c27-20-5-17(9-30-14-20)12-34-26(37)22-6-16(8-28)11-32-24(22)31-10-15-1-3-18(4-2-15)19-7-21-23(29)35-36-25(21)33-13-19/h1-7,9,11,13-14H,10,12H2,(H,31,32)(H,34,37)(H3,29,33,35,36)
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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))
BDBM282432
PNG
(2-(4-(5-aminopyrazin-2-yl) benzylamino)-5-cyano-N-...)
Show SMILES Nc1cnc(cn1)-c1ccc(CNc2ncc(cc2C(=O)NCc2cncc(F)c2)C#N)cc1
Show InChI InChI=1S/C24H19FN8O/c25-19-5-17(8-28-12-19)11-33-24(34)20-6-16(7-26)10-32-23(20)31-9-15-1-3-18(4-2-15)21-13-30-22(27)14-29-21/h1-6,8,10,12-14H,9,11H2,(H2,27,30)(H,31,32)(H,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))
BDBM282435
PNG
((S)-3-(4-(4-amino-7H- pyrrolo[2,3-d]pyrimidin- 5-y...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1c[nH]c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H21F2N9O/c1-14(17-6-7-20(28)21(29)8-17)37-27(39)23-26(33-11-18(9-30)38-23)32-10-15-2-4-16(5-3-15)19-12-34-25-22(19)24(31)35-13-36-25/h2-8,11-14H,10H2,1H3,(H,32,33)(H,37,39)(H3,31,34,35,36)/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))
BDBM282436
PNG
((S)-3-(4-(4-amino-7- (3-(dimethylamino) propyl)-7H...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1cn(CCCN(C)C)c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1
Show InChI InChI=1S/C32H32F2N10O/c1-19(22-9-10-25(33)26(34)13-22)41-32(45)28-30(38-16-23(14-35)42-28)37-15-20-5-7-21(8-6-20)24-17-44(12-4-11-43(2)3)31-27(24)29(36)39-18-40-31/h5-10,13,16-19H,4,11-12,15H2,1-3H3,(H,37,38)(H,41,45)(H2,36,39,40)/t19-/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))
BDBM282437
PNG
((S)-3-(4-(4-amino-7- (3-methoxypropyl)- 7H-pyrrolo...)
Show SMILES COCCCn1cc(-c2ccc(CNc3ncc(nc3C(=O)N[C@@H](C)c3ccc(F)c(F)c3)C#N)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H29F2N9O2/c1-18(21-8-9-24(32)25(33)12-21)40-31(43)27-29(37-15-22(13-34)41-27)36-14-19-4-6-20(7-5-19)23-16-42(10-3-11-44-2)30-26(23)28(35)38-17-39-30/h4-9,12,15-18H,3,10-11,14H2,1-2H3,(H,36,37)(H,40,43)(H2,35,38,39)/t18-/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))
BDBM282438
PNG
((S)-3-(4-(4-amino-7- (3-aminopropyl)- 7H-pyrrolo[2...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1cn(CCCN)c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H28F2N10O/c1-17(20-7-8-23(31)24(32)11-20)40-30(43)26-28(37-14-21(12-34)41-26)36-13-18-3-5-19(6-4-18)22-15-42(10-2-9-33)29-25(22)27(35)38-16-39-29/h3-8,11,14-17H,2,9-10,13,33H2,1H3,(H,36,37)(H,40,43)(H2,35,38,39)/t17-/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))
BDBM282439
PNG
((S)-3-(4-(4-amino-7- (2-aminoethyl)- 7H-pyrrolo[2,...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1cn(CCN)c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H26F2N10O/c1-16(19-6-7-22(30)23(31)10-19)39-29(42)25-27(36-13-20(11-33)40-25)35-12-17-2-4-18(5-3-17)21-14-41(9-8-32)28-24(21)26(34)37-15-38-28/h2-7,10,13-16H,8-9,12,32H2,1H3,(H,35,36)(H,39,42)(H2,34,37,38)/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
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