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Compile Data Set for Download or QSAR

Found 1192 hits Enz. Inhib. hit(s) with Target = '3-Phosphoinositide dependent protein kinase-1'   
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))
BDBM110206
PNG
(1-[2-(Dimethylamino)ethyl]-5-(2-hydroxy-4-methoxyb...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
Show InChI InChI=1S/C17H20N2O4/c1-18(2)8-9-19-11-12(4-7-16(19)21)17(22)14-6-5-13(23-3)10-15(14)20/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/a7.0n/a



University of Delhi, Delhi 110007, India



Assay Description
EGFR was incubated with 8 mM MOPS (pH 7.0), 0.2 mM EDTA, 10 mM MnCl2, 0.1 mg/mL poly(Glu, Tyr) 4:1. MAPK1 was incubated with 25 mM Tris (pH 7.5), 0.0...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
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))
BDBM17053
PNG
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)
Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br
Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
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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...


J Biol Chem 280: 19867-74 (2005)


Article DOI: 10.1074/jbc.M501367200
BindingDB Entry DOI: 10.7270/Q21Z42PW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
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
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))
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))
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
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))
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
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))
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))
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))
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))
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
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))
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))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 1.80E+3n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17016
PNG
((3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-di...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
Show InChI InChI=1S/C14H12N2O/c1-9-4-2-6-12-13(9)11(14(17)16-12)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b11-8-
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n/an/a 510n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17017
PNG
((3Z)-5-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-di...)
Show SMILES Cc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H12N2O/c1-9-4-5-13-11(7-9)12(14(17)16-13)8-10-3-2-6-15-10/h2-8,15H,1H3,(H,16,17)/b12-8-
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n/an/a 2.70E+3n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17018
PNG
((3Z)-7-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-di...)
Show SMILES Cc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
Show InChI InChI=1S/C14H12N2O/c1-9-4-2-6-11-12(14(17)16-13(9)11)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b12-8-
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n/an/a>2.60E+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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17019
PNG
((3Z)-4-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
Show InChI InChI=1S/C13H10N2O2/c16-11-5-1-4-10-12(11)9(13(17)15-10)7-8-3-2-6-14-8/h1-7,14,16H,(H,15,17)/b9-7-
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n/an/a 1.00E+3n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17020
PNG
((3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H10N2O2/c16-9-3-4-12-10(7-9)11(13(17)15-12)6-8-2-1-5-14-8/h1-7,14,16H,(H,15,17)/b11-6-
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n/an/a 340n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17021
PNG
((3Z)-6-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C13H10N2O2/c16-9-3-4-10-11(6-8-2-1-5-14-8)13(17)15-12(10)7-9/h1-7,14,16H,(H,15,17)/b11-6-
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n/an/a 900n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17022
PNG
((3Z)-7-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
Show InChI InChI=1S/C13H10N2O2/c16-11-5-1-4-9-10(13(17)15-12(9)11)7-8-3-2-6-14-8/h1-7,14,16H,(H,15,17)/b10-7-
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n/an/a>2.60E+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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17023
PNG
((3Z)-5-hydroxy-3-[1-(1H-pyrrol-2-yl)ethylidene]-2,...)
Show SMILES C\C(=C1\C(=O)Nc2ccc(O)cc12)c1ccc[nH]1
Show InChI InChI=1S/C14H12N2O2/c1-8(11-3-2-6-15-11)13-10-7-9(17)4-5-12(10)16-14(13)18/h2-7,15,17H,1H3,(H,16,18)/b13-8-
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n/an/a 80n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17024
PNG
((3Z)-5-hydroxy-3-[(3-methyl-1H-pyrrol-2-yl)methyli...)
Show SMILES Cc1cc[nH]c1\C=C1/C(=O)Nc2ccc(O)cc12
Show InChI InChI=1S/C14H12N2O2/c1-8-4-5-15-13(8)7-11-10-6-9(17)2-3-12(10)16-14(11)18/h2-7,15,17H,1H3,(H,16,18)/b11-7-
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n/an/a 280n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17025
PNG
((3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methyli...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(O)cc23)c1
Show InChI InChI=1S/C14H12N2O2/c1-8-4-9(15-7-8)5-12-11-6-10(17)2-3-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-5-
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n/an/a 280n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17026
PNG
((3Z)-5-hydroxy-3-[(5-methyl-1H-pyrrol-2-yl)methyli...)
Show SMILES Cc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C14H12N2O2/c1-8-2-3-9(15-8)6-12-11-7-10(17)4-5-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-6-
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n/an/a 680n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17027
PNG
((3Z)-3-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-hyd...)
Show SMILES CCc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-2-9-3-4-10(16-9)7-13-12-8-11(18)5-6-14(12)17-15(13)19/h3-8,16,18H,2H2,1H3,(H,17,19)/b13-7-
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n/an/a 2.30E+3n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17028
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-
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n/an/a 1.10E+3n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17029
PNG
((3Z)-5-methoxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H12N2O2/c1-18-10-4-5-13-11(8-10)12(14(17)16-13)7-9-3-2-6-15-9/h2-8,15H,1H3,(H,16,17)/b12-7-
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n/an/a 580n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17030
PNG
((3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihyd...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O3S/c14-20(18,19)9-3-4-12-10(7-9)11(13(17)16-12)6-8-2-1-5-15-8/h1-7,15H,(H,16,17)(H2,14,18,19)/b11-6-
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n/an/a 290n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17031
PNG
(Indolinone based inhibitor, 3c | methyl (3Z)-2-oxo...)
Show SMILES COC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C15H12N2O3/c1-20-15(19)9-4-5-13-11(7-9)12(14(18)17-13)8-10-3-2-6-16-10/h2-8,16H,1H3,(H,17,18)/b12-8-
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n/an/a 670n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17032
PNG
((3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihyd...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H10N2O3/c17-13-11(7-9-2-1-5-15-9)10-6-8(14(18)19)3-4-12(10)16-13/h1-7,15H,(H,16,17)(H,18,19)/b11-7-
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n/an/a 260n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17033
PNG
((3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihyd...)
Show SMILES NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H11N3O2/c15-13(18)8-3-4-12-10(6-8)11(14(19)17-12)7-9-2-1-5-16-9/h1-7,16H,(H2,15,18)(H,17,19)/b11-7-
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n/an/a 120n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17034
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-5-(1H-1,2,3,4-t...)
Show SMILES O=C1Nc2ccc(cc2C1=Cc1ccc[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C14H10N6O/c21-14-11(7-9-2-1-5-15-9)10-6-8(3-4-12(10)16-14)13-17-19-20-18-13/h1-7,15H,(H,16,21)(H,17,18,19,20)
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n/an/a 200n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17035
PNG
((3Z)-5-amino-3-(1H-pyrrol-2-ylmethylidene)-2,3-dih...)
Show SMILES Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O/c14-8-3-4-12-10(6-8)11(13(17)16-12)7-9-2-1-5-15-9/h1-7,15H,14H2,(H,16,17)/b11-7-
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n/an/a 580n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17036
PNG
((3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihyd...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)C#N
Show InChI InChI=1S/C14H9N3O/c15-8-9-3-4-13-11(6-9)12(14(18)17-13)7-10-2-1-5-16-10/h1-7,16H,(H,17,18)/b12-7-
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n/an/a 990n/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: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17051
PNG
(BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...)
Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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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...


J Biol Chem 280: 19867-74 (2005)


Article DOI: 10.1074/jbc.M501367200
BindingDB Entry DOI: 10.7270/Q21Z42PW
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM17052
PNG
(BX-912 | N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)et...)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
Show InChI InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
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n/an/a 12n/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...


J Biol Chem 280: 19867-74 (2005)


Article DOI: 10.1074/jbc.M501367200
BindingDB Entry DOI: 10.7270/Q21Z42PW
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))
BDBM199118
PNG
((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymeth...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)
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n/an/an/a 2.00E+4n/an/an/a7.4n/a



Universitätsklinikum Frankfurt



Assay Description
Titrations were performed by a 0.4 µl injection followed by 19 successive injections (2 µl) of each compound(adenosine 500 µM, PS653 250 µM) into a 2...


Cell Chem Biol 23: 1193-1205 (2016)


Article DOI: 10.1016/j.chembiol.2016.06.017
BindingDB Entry DOI: 10.7270/Q23N226C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM19100
PNG
(16-methoxy-6-methyl-15-(3-methylbutoxy)-8,12-diaza...)
Show SMILES COc1cc2c(cc1OCCC(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
Show InChI InChI=1S/C23H26N4O2/c1-12(2)7-8-29-20-10-18-15(9-19(20)28-4)21-14-5-6-17(24)13(3)22(14)27-23(25)16(21)11-26-18/h5-6,9-12H,7-8,24H2,1-4H3,(H2,25,27)
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n/an/a 1.18E+3n/an/an/an/a7.423



Wyeth Research



Assay Description
A homogeneous in vitro assay based on a LANCE format was first used for high-throughput screening. Those compounds that showed the largest different...


J Med Chem 50: 5547-9 (2007)


Article DOI: 10.1021/jm070851i
BindingDB Entry DOI: 10.7270/Q2639N0S
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM104016
PNG
(PS77)
Show SMILES OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl2O3S2/c24-16-7-5-15(6-8-16)20(26)13-22(29-14-23(27)28)19-3-1-2-4-21(19)30-18-11-9-17(25)10-12-18/h1-12,22H,13-14H2,(H,27,28)
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n/an/a 3.80E+4n/an/an/an/a7.40



Universit£tsklinikum Frankfurt



Assay Description
A 20ul mix containing 50mM Tris pH 7.5, 0.05mg/ml BSA, 0.1% β-mercaptoethanol, 10mM MgCl2, 100μM [γ-P32]ATP (5-50cpm/pmol), 0.003% Bri...


ACS Chem Biol 8: 2283-92 (2013)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q2N878F2
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50296949
PNG
((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
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n/an/a 9.70E+4n/an/an/an/a7.40



Universit£tsklinikum Frankfurt



Assay Description
The AlphaScreen Assay (Perkin Elmer) was performed according to the manufacturer's protocol in 384-well microtiter plates. Incubations were performe...


ACS Chem Biol 8: 2283-92 (2013)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q2N878F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM104018
PNG
(PS182)
Show SMILES OC(=O)C(C(CC(=O)c1ccc(Cl)cc1)c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H15ClO5/c19-13-8-6-12(7-9-13)15(20)10-14(11-4-2-1-3-5-11)16(17(21)22)18(23)24/h1-9,14,16H,10H2,(H,21,22)(H,23,24)
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n/an/a 2.60E+4n/an/an/an/a7.40



Universit£tsklinikum Frankfurt



Assay Description
The AlphaScreen Assay (Perkin Elmer) was performed according to the manufacturer's protocol in 384-well microtiter plates. Incubations were performe...


ACS Chem Biol 8: 2283-92 (2013)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q2N878F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50399646
PNG
(CHEMBL2177668 | PS210)
Show SMILES OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
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n/an/a 3.90E+4n/an/an/an/a7.40



Universit£tsklinikum Frankfurt



Assay Description
The AlphaScreen Assay (Perkin Elmer) was performed according to the manufacturer's protocol in 384-well microtiter plates. Incubations were performe...


ACS Chem Biol 8: 2283-92 (2013)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q2N878F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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