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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'hrvatin' and Initial = 'p'   
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


(Homo sapiens (Human))
BDBM17003
PNG
(Indolinone based compound, 7l | [(3Z)-3-({4-[3-(am...)
Show SMILES NCc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
Show InChI InChI=1S/C21H19N5O2/c22-10-12-2-1-3-13(6-12)14-7-16(24-11-14)9-18-17-8-15(25-21(23)28)4-5-19(17)26-20(18)27/h1-9,11,24H,10,22H2,(H,26,27)(H3,23,25,28)/b18-9-
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17014
PNG
(Indolinone based compound, 22 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1
Show InChI InChI=1S/C24H30N6O3/c1-15(22-18-12-17(28-24(25)33)5-6-19(18)29-23(22)32)20-11-16(13-26-20)14-27-21(31)7-10-30-8-3-2-4-9-30/h5-6,11-13,26H,2-4,7-10,14H2,1H3,(H,27,31)(H,29,32)(H3,25,28,33)/b22-15-
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n/an/a 3n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17010
PNG
(Indolinone based compound, 18 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES CN1CCC(CC1)C(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
Show InChI InChI=1S/C23H28N6O3/c1-13(20-17-10-16(27-23(24)32)3-4-18(17)28-22(20)31)19-9-14(11-25-19)12-26-21(30)15-5-7-29(2)8-6-15/h3-4,9-11,15,25H,5-8,12H2,1-2H3,(H,26,30)(H,28,31)(H3,24,27,32)/b20-13-
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n/an/a 4n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16995
PNG
(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
Show InChI InChI=1S/C25H26N6O3/c1-31(2)9-8-27-23(32)16-5-3-4-15(10-16)17-11-19(28-14-17)13-21-20-12-18(29-25(26)34)6-7-22(20)30-24(21)33/h3-7,10-14,28H,8-9H2,1-2H3,(H,27,32)(H,30,33)(H3,26,29,34)/b21-13-
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n/an/a 4n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16996
PNG
(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(=O)NCCN3CCCCC3)c2c1
Show InChI InChI=1S/C28H30N6O3/c29-28(37)32-21-7-8-25-23(15-21)24(27(36)33-25)16-22-14-20(17-31-22)18-5-4-6-19(13-18)26(35)30-9-12-34-10-2-1-3-11-34/h4-8,13-17,31H,1-3,9-12H2,(H,30,35)(H,33,36)(H3,29,32,37)/b24-16-
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n/an/a 4n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17004
PNG
(BX-517 | Indolinone based inhibitor, 4i | [(3Z)-2-...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
Show InChI InChI=1S/C15H14N4O2/c1-8(11-3-2-6-17-11)13-10-7-9(18-15(16)21)4-5-12(10)19-14(13)20/h2-7,17H,1H3,(H,19,20)(H3,16,18,21)/b13-8-
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17007
PNG
(Indolinone based compound, 15 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2ccncc2)c[nH]1
Show InChI InChI=1S/C22H20N6O3/c1-12(19-16-9-15(27-22(23)31)2-3-17(16)28-21(19)30)18-8-13(10-25-18)11-26-20(29)14-4-6-24-7-5-14/h2-10,25H,11H2,1H3,(H,26,29)(H,28,30)(H3,23,27,31)/b19-12-
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17001
PNG
(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(N)=O)c2c1
Show InChI InChI=1S/C21H17N5O3/c22-19(27)12-3-1-2-11(6-12)13-7-15(24-10-13)9-17-16-8-14(25-21(23)29)4-5-18(16)26-20(17)28/h1-10,24H,(H2,22,27)(H,26,28)(H3,23,25,29)/b17-9-
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17011
PNG
(Indolinone based compound, 19 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CNCCN2)c[nH]1
Show InChI InChI=1S/C21H25N7O3/c1-11(18-14-7-13(27-21(22)31)2-3-15(14)28-20(18)30)16-6-12(8-25-16)9-26-19(29)17-10-23-4-5-24-17/h2-3,6-8,17,23-25H,4-5,9-10H2,1H3,(H,26,29)(H,28,30)(H3,22,27,31)/b18-11-
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Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17012
PNG
(2-amino-N-[(5-{1-[(3Z)-5-(carbamoylamino)-2-oxo-2,...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CN)c[nH]1
Show InChI InChI=1S/C18H20N6O3/c1-9(14-4-10(7-21-14)8-22-15(25)6-19)16-12-5-11(23-18(20)27)2-3-13(12)24-17(16)26/h2-5,7,21H,6,8,19H2,1H3,(H,22,25)(H,24,26)(H3,20,23,27)/b16-9-
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n/an/a 5n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17009
PNG
(Indolinone based compound, 17 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CCNCC2)c[nH]1
Show InChI InChI=1S/C22H26N6O3/c1-12(19-16-9-15(27-22(23)31)2-3-17(16)28-21(19)30)18-8-13(10-25-18)11-26-20(29)14-4-6-24-7-5-14/h2-3,8-10,14,24-25H,4-7,11H2,1H3,(H,26,29)(H,28,30)(H3,23,27,31)/b19-12-
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n/an/a 6n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16997
PNG
(Indolinone based compound, 7f | [(3Z)-3-{[4-(3-hyd...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(O)c3)c2c1
Show InChI InChI=1S/C20H16N4O3/c21-20(27)23-13-4-5-18-16(8-13)17(19(26)24-18)9-14-6-12(10-22-14)11-2-1-3-15(25)7-11/h1-10,22,25H,(H,24,26)(H3,21,23,27)/b17-9-
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n/an/a 6n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16993
PNG
(Indolinone based compound, 7b | [(3Z)-2-oxo-3-{[4-...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccnc3)c2c1
Show InChI InChI=1S/C19H15N5O2/c20-19(26)23-13-3-4-17-15(7-13)16(18(25)24-17)8-14-6-12(10-22-14)11-2-1-5-21-9-11/h1-10,22H,(H,24,25)(H3,20,23,26)/b16-8-
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n/an/a 8n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17006
PNG
(Indolinone based compound, 14 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES CC(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
Show InChI InChI=1S/C18H19N5O3/c1-9(15-5-11(8-21-15)7-20-10(2)24)16-13-6-12(22-18(19)26)3-4-14(13)23-17(16)25/h3-6,8,21H,7H2,1-2H3,(H,20,24)(H,23,25)(H3,19,22,26)/b16-9-
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n/an/a 8n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17002
PNG
(Indolinone based compound, 7k | N-[3-(5-{[(3Z)-5-(...)
Show SMILES CC(=O)Nc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
Show InChI InChI=1S/C22H19N5O3/c1-12(28)25-15-4-2-3-13(7-15)14-8-17(24-11-14)10-19-18-9-16(26-22(23)30)5-6-20(18)27-21(19)29/h2-11,24H,1H3,(H,25,28)(H,27,29)(H3,23,26,30)/b19-10-
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n/an/a 8n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16983
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES Cc1c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)[nH]cc1C(O)=O
Show InChI InChI=1S/C16H14N4O4/c1-7-11(15(22)23)6-18-13(7)5-10-9-4-8(19-16(17)24)2-3-12(9)20-14(10)21/h2-6,18H,1H3,(H,20,21)(H,22,23)(H3,17,19,24)/b10-5-
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n/an/a 9n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16982
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(O)=O)c2c1
Show InChI InChI=1S/C15H12N4O4/c16-15(23)18-8-1-2-12-10(4-8)11(13(20)19-12)5-9-3-7(6-17-9)14(21)22/h1-6,17H,(H,19,20)(H,21,22)(H3,16,18,23)/b11-5-
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n/an/a 9n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17008
PNG
(Indolinone based compound, 16 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2cccnc2)c[nH]1
Show InChI InChI=1S/C22H20N6O3/c1-12(19-16-8-15(27-22(23)31)4-5-17(16)28-21(19)30)18-7-13(9-25-18)10-26-20(29)14-3-2-6-24-11-14/h2-9,11,25H,10H2,1H3,(H,26,29)(H,28,30)(H3,23,27,31)/b19-12-
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n/an/a 10n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17005
PNG
(Indolinone based compound, 13 | [(3Z)-3-{1-[4-(ami...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CN)c[nH]1
Show InChI InChI=1S/C16H17N5O2/c1-8(13-4-9(6-17)7-19-13)14-11-5-10(20-16(18)23)2-3-12(11)21-15(14)22/h2-5,7,19H,6,17H2,1H3,(H,21,22)(H3,18,20,23)/b14-8-
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n/an/a 10n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17013
PNG
(Indolinone based compound, 21 | N-[(5-{1-[(3Z)-5-(...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CO)c[nH]1
Show InChI InChI=1S/C18H19N5O4/c1-9(14-4-10(6-20-14)7-21-15(25)8-24)16-12-5-11(22-18(19)27)2-3-13(12)23-17(16)26/h2-6,20,24H,7-8H2,1H3,(H,21,25)(H,23,26)(H3,19,22,27)/b16-9-
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n/an/a 10n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16987
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCCCC3)c2c1
Show InChI InChI=1S/C22H26N6O3/c23-22(31)26-15-4-5-19-17(11-15)18(21(30)27-19)12-16-10-14(13-25-16)20(29)24-6-9-28-7-2-1-3-8-28/h4-5,10-13,25H,1-3,6-9H2,(H,24,29)(H,27,30)(H3,23,26,31)/b18-12-
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n/an/a 11n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16990
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NC(=O)Nc1ccc2NC(=O)C(=Cc3cc(c[nH]3)C(=O)NCCc3cnc[nH]3)c2c1 |w:12.12|
Show InChI InChI=1S/C20H19N7O3/c21-20(30)26-12-1-2-17-15(6-12)16(19(29)27-17)7-14-5-11(8-24-14)18(28)23-4-3-13-9-22-10-25-13/h1-2,5-10,24H,3-4H2,(H,22,25)(H,23,28)(H,27,29)(H3,21,26,30)
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n/an/a 14n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16991
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCc3ccncc3)c2c1
Show InChI InChI=1S/C22H20N6O3/c23-22(31)27-15-1-2-19-17(10-15)18(21(30)28-19)11-16-9-14(12-26-16)20(29)25-8-5-13-3-6-24-7-4-13/h1-4,6-7,9-12,26H,5,8H2,(H,25,29)(H,28,30)(H3,23,27,31)/b18-11-
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n/an/a 17n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16998
PNG
(Indolinone based compound, 7g | [(3Z)-3-{[4-(3-met...)
Show SMILES COc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
Show InChI InChI=1S/C21H18N4O3/c1-28-16-4-2-3-12(8-16)13-7-15(23-11-13)10-18-17-9-14(24-21(22)27)5-6-19(17)25-20(18)26/h2-11,23H,1H3,(H,25,26)(H3,22,24,27)/b18-10-
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n/an/a 19n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16981
PNG
(BX-201 | [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-12-10(7-9)11(13(19)18-12)6-8-2-1-5-16-8/h1-7,16H,(H,18,19)(H3,15,17,20)/b11-6-
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n/an/a 20n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16992
PNG
(Indolinone based compound, 7a | [(3Z)-2-oxo-3-[(4-...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3ccccc3)c2c1
Show InChI InChI=1S/C20H16N4O2/c21-20(26)23-14-6-7-18-16(9-14)17(19(25)24-18)10-15-8-13(11-22-15)12-4-2-1-3-5-12/h1-11,22H,(H,24,25)(H3,21,23,26)/b17-10-
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n/an/a 21n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16986
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES CN(C)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
Show InChI InChI=1S/C19H22N6O3/c1-25(2)6-5-21-17(26)11-7-13(22-10-11)9-15-14-8-12(23-19(20)28)3-4-16(14)24-18(15)27/h3-4,7-10,22H,5-6H2,1-2H3,(H,21,26)(H,24,27)(H3,20,23,28)/b15-9-
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n/an/a 27n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16988
PNG
(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-i...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCOCC3)c2c1
Show InChI InChI=1S/C21H24N6O4/c22-21(30)25-14-1-2-18-16(10-14)17(20(29)26-18)11-15-9-13(12-24-15)19(28)23-3-4-27-5-7-31-8-6-27/h1-2,9-12,24H,3-8H2,(H,23,28)(H,26,29)(H3,22,25,30)/b17-11-
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n/an/a 29n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16989
PNG
(Indolinone based compound, 3d | [(3Z)-3-[(4-{[(3S)...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1 |r|
Show InChI InChI=1S/C21H24N6O3/c1-26(2)15-5-6-27(11-15)20(29)12-7-14(23-10-12)9-17-16-8-13(24-21(22)30)3-4-18(16)25-19(17)28/h3-4,7-10,15,23H,5-6,11H2,1-2H3,(H,25,28)(H3,22,24,30)/b17-9-/t15-/m0/s1
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n/an/a 31n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM17000
PNG
(Indolinone based compound, 7i | [(3Z)-3-{[4-(3-met...)
Show SMILES Cc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
Show InChI InChI=1S/C21H18N4O2/c1-12-3-2-4-13(7-12)14-8-16(23-11-14)10-18-17-9-15(24-21(22)27)5-6-19(17)25-20(18)26/h2-11,23H,1H3,(H,25,26)(H3,22,24,27)/b18-10-
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n/an/a 37n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16984
PNG
(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Show SMILES Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(NC(N)=O)cc12
Show InChI InChI=1S/C18H18N4O4/c1-9-10(2-5-16(23)24)8-20-15(9)7-13-12-6-11(21-18(19)26)3-4-14(12)22-17(13)25/h3-4,6-8,20H,2,5H2,1H3,(H,22,25)(H,23,24)(H3,19,21,26)/b13-7-
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n/an/a 39n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16994
PNG
(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C21H16N4O4/c22-21(29)24-14-4-5-18-16(8-14)17(19(26)25-18)9-15-7-13(10-23-15)11-2-1-3-12(6-11)20(27)28/h1-10,23H,(H,25,26)(H,27,28)(H3,22,24,29)/b17-9-
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n/an/a 45n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16999
PNG
(Indolinone based compound, 7h | [(3Z)-3-{[4-(3-flu...)
Show SMILES NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(F)c3)c2c1
Show InChI InChI=1S/C20H15FN4O2/c21-13-3-1-2-11(6-13)12-7-15(23-10-12)9-17-16-8-14(24-20(22)27)4-5-18(16)25-19(17)26/h1-10,23H,(H,25,26)(H3,22,24,27)/b17-9-
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n/an/a 51n/an/an/an/an/an/a



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM16985
PNG
(3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C19H20N4O4/c1-9-12(4-6-17(24)25)10(2)21-16(9)8-14-13-7-11(22-19(20)27)3-5-15(13)23-18(14)26/h3,5,7-8,21H,4,6H2,1-2H3,(H,23,26)(H,24,25)(H3,20,22,27)/b14-8-
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n/an/a 57n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3819-25 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.060
BindingDB Entry DOI: 10.7270/Q29G5K22
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50440284
PNG
(CHEMBL2424780 | US10457681, Compound Vesatolimod |...)
Show SMILES CCCCOc1nc(N)c2NC(=O)CN(Cc3cccc(CN4CCCC4)c3)c2n1
Show InChI InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
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n/an/an/an/a 9.00E+3n/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK293 cells by reporter based assay


J Med Chem 56: 7324-33 (2013)


Article DOI: 10.1021/jm400815m
BindingDB Entry DOI: 10.7270/Q2X068GV
More data for this
Ligand-Target Pair