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Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'choudhry' and Initial = 'ae'   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316183
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(OC[C@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316184
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-3-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,32H,4,11,13,25H2,1-3H3,(H2,26,30)/t18-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316184
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-3-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,32H,4,11,13,25H2,1-3H3,(H2,26,30)/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
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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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316185
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-3-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,32H,4,11,13,25H2,1-3H3,(H2,26,30)/t18-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316183
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(OC[C@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316182
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m1/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(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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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316189
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(2-aminoetho...)
Show SMILES CCn1c(nc2c(nc(OCCN)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-4-24-11-9-12(26-8-7-18)20-10(5-6-17(2,3)25)13(11)21-16(24)14-15(19)23-27-22-14/h9,25H,4,7-8,18H2,1-3H3,(H2,19,23)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316182
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m1/s1
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316189
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(2-aminoetho...)
Show SMILES CCn1c(nc2c(nc(OCCN)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-4-24-11-9-12(26-8-7-18)20-10(5-6-17(2,3)25)13(11)21-16(24)14-15(19)23-27-22-14/h9,25H,4,7-8,18H2,1-3H3,(H2,19,23)
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39n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316185
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-3-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,32H,4,11,13,25H2,1-3H3,(H2,26,30)/t18-/m1/s1
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105n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316197
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminoprop...)
Show SMILES CCn1c(nc2c(nc(OCCCN)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C18H23N7O3/c1-4-25-12-10-13(27-9-5-8-19)21-11(6-7-18(2,3)26)14(12)22-17(25)15-16(20)24-28-23-15/h10,26H,4-5,8-9,19H2,1-3H3,(H2,20,24)
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115n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50316197
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminoprop...)
Show SMILES CCn1c(nc2c(nc(OCCCN)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C18H23N7O3/c1-4-25-12-10-13(27-9-5-8-19)21-11(6-7-18(2,3)26)14(12)22-17(25)15-16(20)24-28-23-15/h10,26H,4-5,8-9,19H2,1-3H3,(H2,20,24)
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646n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316183
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(OC[C@H](N)Cc3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-18-13-19(33-14-16(25)12-15-8-6-5-7-9-15)27-17(10-11-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h5-9,13,16,32H,4,12,14,25H2,1-3H3,(H2,26,30)/t16-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306097
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r|
Show InChI InChI=1S/C29H27N5O2/c1-17-25-12-19(7-8-28(25)34-33-17)26-13-22(15-32-29(26)23-9-10-35-18(23)2)36-16-21(30)11-20-14-31-27-6-4-3-5-24(20)27/h3-10,12-15,21,31H,11,16,30H2,1-2H3,(H,33,34)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306095
PNG
((S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3cc(F)ccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H24FN5O2/c1-16-24-9-17(2-5-26(24)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-27-10-20(29)3-4-23(19)27/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306096
PNG
((S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccc(F)cc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H24FN5O2/c1-16-23-9-17(2-4-27(23)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-26-5-3-20(29)10-24(19)26/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306094
PNG
((S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3c(F)cccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50305883
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305883
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305882
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-23(33-32-15)12-30-26(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,32,33)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305879
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-23-9-19(12-31-27(23)33-32-16)24-10-21(13-30-26(24)17-6-7-34-14-17)35-15-20(28)8-18-11-29-25-5-3-2-4-22(18)25/h2-7,9-14,20,29H,8,15,28H2,1H3,(H,31,32,33)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
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
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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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))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50316192
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
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))
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))
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))
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
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
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))
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))
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
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))
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))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
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
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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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))
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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n/an/a 2n/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))
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
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

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305881
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H23N7O2/c1-15-24-26(33-32-15)30-12-23(31-24)21-9-19(11-29-25(21)16-6-7-34-13-16)35-14-18(27)8-17-10-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,32,33)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316184
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-3-amino...)
Show SMILES CCn1c(nc2c(nc(O[C@@H](CCN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C24H27N7O3/c1-4-31-17-14-19(33-18(11-13-25)15-8-6-5-7-9-15)27-16(10-12-24(2,3)32)20(17)28-23(31)21-22(26)30-34-29-21/h5-9,14,18,32H,4,11,13,25H2,1-3H3,(H2,26,30)/t18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50316195
PNG
(4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((dimethylam...)
Show SMILES CCn1c(nc2c(nc(CN(C)C)cc12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C18H23N7O2/c1-6-25-13-9-11(10-24(4)5)20-12(7-8-18(2,3)26)14(13)21-17(25)15-16(19)23-27-22-15/h9,26H,6,10H2,1-5H3,(H2,19,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 1508-11 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.002
BindingDB Entry DOI: 10.7270/Q2XK8FP7
More data for this
Ligand-Target Pair
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