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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'safonov' and Initial = 'ig'   
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
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM24994
PNG
(4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...)
Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM25004
PNG
(3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306154
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r|
Show InChI InChI=1S/C27H25N7O2/c1-15-25-27(34-33-15)31-13-24(32-25)22-10-19(12-30-26(22)20-7-8-35-16(20)2)36-14-18(28)9-17-11-29-23-6-4-3-5-21(17)23/h3-8,10-13,18,29H,9,14,28H2,1-2H3,(H,31,33,34)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306163
PNG
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306155
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306156
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306165
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306165
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306157
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306158
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25009
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(2-aminoetho...)
Show SMILES CCn1c(nc2c(ncc(OCCN)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-4-24-14-11(26-8-7-18)9-20-10(5-6-17(2,3)25)12(14)21-16(24)13-15(19)23-27-22-13/h9,25H,4,7-8,18H2,1-3H3,(H2,19,23)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25004
PNG
(3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306163
PNG
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306157
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306156
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24994
PNG
(4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...)
Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25016
PNG
((2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-et...)
Show SMILES CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H29N7O5/c1-4-28-18-15(32-9-5-8-23-10-13(30)12-29)11-24-14(6-7-21(2,3)31)16(18)25-20(28)17-19(22)27-33-26-17/h11,13,23,29-31H,4-5,8-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25014
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3R...)
Show SMILES CCn1c(nc2c(ncc(OC[C@@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m1/s1
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306155
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25010
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[(3S)-3-amin...)
Show SMILES CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C25H29N7O3/c1-4-32-22-19(34-13-11-17(26)14-16-8-6-5-7-9-16)15-28-18(10-12-25(2,3)33)20(22)29-24(32)21-23(27)31-35-30-21/h5-9,15,17,33H,4,11,13-14,26H2,1-3H3,(H2,27,31)/t17-/m1/s1
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306160
PNG
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306158
PNG
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM24991
PNG
(4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r|
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25010
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[(3S)-3-amin...)
Show SMILES CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C25H29N7O3/c1-4-32-22-19(34-13-11-17(26)14-16-8-6-5-7-9-16)15-28-18(10-12-25(2,3)33)20(22)29-24(32)21-23(27)31-35-30-21/h5-9,15,17,33H,4,11,13-14,26H2,1-3H3,(H2,27,31)/t17-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24991
PNG
(4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r|
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25015
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{...)
Show SMILES CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C27H33N7O4/c1-5-34-24-21(37-16-6-14-29-15-12-18-7-9-19(36-4)10-8-18)17-30-20(11-13-27(2,3)35)22(24)31-26(34)23-25(28)33-38-32-23/h7-10,17,29,35H,5-6,12,14-16H2,1-4H3,(H2,28,33)
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n/an/a 5n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25016
PNG
((2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-et...)
Show SMILES CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H29N7O5/c1-4-28-18-15(32-9-5-8-23-10-13(30)12-29)11-24-14(6-7-21(2,3)31)16(18)25-20(28)17-19(22)27-33-26-17/h11,13,23,29-31H,4-5,8-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24990
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(met...)
Show SMILES CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N
Show InChI InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25003
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C18H23N7O3/c1-4-25-15-12(27-9-5-8-19)10-21-11(6-7-18(2,3)26)13(15)22-17(25)14-16(20)24-28-23-14/h10,26H,4-5,8-9,19H2,1-3H3,(H2,20,24)
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n/an/a 6n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306161
PNG
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25015
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{...)
Show SMILES CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C27H33N7O4/c1-5-34-24-21(37-16-6-14-29-15-12-18-7-9-19(36-4)10-8-18)17-30-20(11-13-27(2,3)35)22(24)31-26(34)23-25(28)33-38-32-23/h7-10,17,29,35H,5-6,12,14-16H2,1-4H3,(H2,28,33)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK I)


(Rattus norvegicus (Rat))
BDBM24995
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperi...)
Show SMILES CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-9-3-5-18-6-4-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM25005
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306161
PNG
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50306164
PNG
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r|
Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT2


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM24996
PNG
(4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...)
Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24989
PNG
(4-[1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]...)
Show SMILES CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C15H19N7O2/c1-2-22-13-10(19-15(22)12-14(16)21-24-20-12)7-18-8-11(13)23-9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H2,16,21)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25012
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25012
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)
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n/an/a 8n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25011
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pyr...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-11-12-6-8-22-9-12)10-23-13(5-7-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h10,12,22,28H,4,6,8-9,11H2,1-3H3,(H2,21,26)
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n/an/a 8n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25007
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(4-aminobuto...)
Show SMILES CCn1c(nc2c(ncc(OCCCCN)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C19H25N7O3/c1-4-26-16-13(28-10-6-5-9-20)11-22-12(7-8-19(2,3)27)14(16)23-18(26)15-17(21)25-29-24-15/h11,27H,4-6,9-10,20H2,1-3H3,(H2,21,25)
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n/an/a 9n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25007
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(4-aminobuto...)
Show SMILES CCn1c(nc2c(ncc(OCCCCN)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C19H25N7O3/c1-4-26-16-13(28-10-6-5-9-20)11-22-12(7-8-19(2,3)27)14(16)23-18(26)15-17(21)25-29-24-15/h11,27H,4-6,9-10,20H2,1-3H3,(H2,21,25)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50306160
PNG
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT3


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
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n/an/a 10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306159
PNG
((S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N |r|
Show InChI InChI=1S/C27H22N8O2/c1-15-25-27(35-34-15)31-12-23(33-25)20-9-24(22(10-28)32-26(20)16-6-7-36-13-16)37-14-18(29)8-17-11-30-21-5-3-2-4-19(17)21/h2-7,9,11-13,18,30H,8,14,29H2,1H3,(H,31,34,35)/t18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 20: 684-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX
More data for this
Ligand-Target Pair
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