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Compile Data Set for Download or QSAR

Found 1543 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase AKT' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278836
PNG
(CHEMBL523586 | N-((S)-1-amino-3-(3-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-4-6-25-20-16(15)5-7-26-20)21(28)27-14(11-24)9-12-2-1-3-13(23)8-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278837
PNG
(CHEMBL496690 | N-((S)-1-amino-3-(4-fluorophenyl)pr...)
Show SMILES NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H18BrFN4OS/c22-17-10-18(29-19(17)15-5-7-25-20-16(15)6-8-26-20)21(28)27-14(11-24)9-12-1-3-13(23)4-2-12/h1-8,10,14H,9,11,24H2,(H,25,26)(H,27,28)/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278770
PNG
(CHEMBL470597 | N-((S)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/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


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278098
PNG
(CHEMBL520788 | N-((S)-1-amino-3-(2-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)14-5-7-28-20-15(14)6-8-29-20)21(31)30-13(11-27)9-12-3-1-2-4-16(12)22(24,25)26/h1-8,10,13H,9,11,27H2,(H,28,29)(H,30,31)/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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278099
PNG
(CHEMBL482536 | N-((S)-1-amino-3-(3-(trifluoromethy...)
Show SMILES NC[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-4-6-28-20-16(15)5-7-29-20)21(31)30-14(11-27)9-12-2-1-3-13(8-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278771
PNG
(CHEMBL470598 | N-((S)-1-amino-3-cyclohexylpropan-2...)
Show SMILES NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H25BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h6-9,11,13-14H,1-5,10,12,23H2,(H,24,25)(H,26,27)/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278693
PNG
((+/-)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1...)
Show SMILES NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)
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8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278100
PNG
(CHEMBL482537 | N-((S)-1-amino-3-(4-(trifluoromethy...)
Show SMILES NC[C@H](Cc1ccc(cc1)C(F)(F)F)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C22H18BrF3N4OS/c23-17-10-18(32-19(17)15-5-7-28-20-16(15)6-8-29-20)21(31)30-14(11-27)9-12-1-3-13(4-2-12)22(24,25)26/h1-8,10,14H,9,11,27H2,(H,28,29)(H,30,31)/t14-/m0/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278833
PNG
(CHEMBL498051 | N-((S)-1-amino-3-(pyridin-4-yl)prop...)
Show SMILES NC[C@H](Cc1ccncc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C20H18BrN5OS/c21-16-10-17(20(27)26-13(11-22)9-12-1-5-23-6-2-12)28-18(16)14-3-7-24-19-15(14)4-8-25-19/h1-8,10,13H,9,11,22H2,(H,24,25)(H,26,27)/t13-/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278834
PNG
(CHEMBL524998 | N-((S)-1-amino-3-(4-methoxyphenyl)p...)
Show SMILES COc1ccc(C[C@@H](CN)NC(=O)c2cc(Br)c(s2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C22H21BrN4O2S/c1-29-15-4-2-13(3-5-15)10-14(12-24)27-22(28)19-11-18(23)20(30-19)16-6-8-25-21-17(16)7-9-26-21/h2-9,11,14H,10,12,24H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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
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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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125n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278603
PNG
((+/-)-N-(2-amino-1-phenylethyl)-4-bromo-5-(1H-pyrr...)
Show SMILES NCC(NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-16(11-22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)
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125n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15160
PNG
(1-[1-({4-[6-(2-methylpropyl)-5-oxo-3-phenyl-4,5-di...)
Show SMILES CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(24-8-4-3-5-9-24)30(34-28)25-14-12-23(13-15-25)21-37-18-16-26(17-19-37)38-29-11-7-6-10-27(29)35-33(38)40/h3-15,22,26H,16-21H2,1-2H3,(H,35,40)(H,36,39)
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325n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Akt2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50278769
PNG
(CHEMBL513728 | N-((R)-1-amino-3-phenylpropan-2-yl)...)
Show SMILES NC[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(s1)-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19BrN4OS/c22-17-11-18(21(27)26-14(12-23)10-13-4-2-1-3-5-13)28-19(17)15-6-8-24-20-16(15)7-9-25-20/h1-9,11,14H,10,12,23H2,(H,24,25)(H,26,27)/t14-/m1/s1
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800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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4.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT2


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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7.16E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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>8.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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>9.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>3.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126609
PNG
(US8772283, 53)
Show InChI InChI=1S/C28H26N4O3/c1-27(34)14-28(30,15-27)20-10-7-17(8-11-20)23-24(18-5-3-2-4-6-18)32-16-35-22-12-9-19(25(29)33)13-21(22)26(32)31-23/h2-13,34H,14-16,30H2,1H3,(H2,29,33)
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n/an/a 0.260n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126581
PNG
(US8772283, 25)
Show SMILES COc1cc(OC)c2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(O)(C1)C1CC1
Show InChI InChI=1S/C31H31N3O4/c1-36-23-14-24(37-2)26-25(15-23)38-18-34-28(20-6-4-3-5-7-20)27(33-29(26)34)19-8-10-21(11-9-19)30(32)16-31(35,17-30)22-12-13-22/h3-11,14-15,22,35H,12-13,16-18,32H2,1-2H3
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n/an/a 0.270n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126608
PNG
(US8772283, 52)
Show InChI InChI=1S/C29H28N4O3/c1-28(35)15-29(30,16-28)21-11-8-18(9-12-21)24-25(19-6-4-3-5-7-19)33-17-36-23-13-10-20(27(34)31-2)14-22(23)26(33)32-24/h3-14,35H,15-17,30H2,1-2H3,(H,31,34)
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n/an/a 0.280n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126557
PNG
(US8772283, 1)
Show SMILES NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3c(F)cccc3OCn2c1-c1ccccc1
Show InChI InChI=1S/C29H26FN3O2/c30-22-7-4-8-23-24(22)27-32-25(26(33(27)17-35-23)19-5-2-1-3-6-19)18-9-11-20(12-10-18)28(31)15-29(34,16-28)21-13-14-21/h1-12,21,34H,13-17,31H2
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n/an/a 0.290n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126578
PNG
(US8772283, 22)
Show SMILES NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3c(Cl)cccc3OCn2c1-c1ccccc1
Show InChI InChI=1S/C29H26ClN3O2/c30-22-7-4-8-23-24(22)27-32-25(26(33(27)17-35-23)19-5-2-1-3-6-19)18-9-11-20(12-10-18)28(31)15-29(34,16-28)21-13-14-21/h1-12,21,34H,13-17,31H2
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n/an/a 0.300n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126611
PNG
(US8772283, 55)
Show InChI InChI=1S/C30H30N4O3/c1-3-32-28(35)21-11-14-24-23(15-21)27-33-25(26(34(27)18-37-24)20-7-5-4-6-8-20)19-9-12-22(13-10-19)30(31)16-29(2,36)17-30/h4-15,36H,3,16-18,31H2,1-2H3,(H,32,35)
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n/an/a 0.310n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126604
PNG
(US8772283, 48)
Show InChI InChI=1S/C30H27N5O2/c1-29(36)16-30(31,17-29)22-10-7-19(8-11-22)26-27(20-5-3-2-4-6-20)35-18-37-25-12-9-21(24-13-14-32-34-24)15-23(25)28(35)33-26/h2-15,36H,16-18,31H2,1H3,(H,32,34)
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n/an/a 0.320n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126572
PNG
(US8772283, 16)
Show SMILES COc1cccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(O)(C3)C3CC3)-c12
Show InChI InChI=1S/C30H29N3O3/c1-35-23-8-5-9-24-25(23)28-32-26(27(33(28)18-36-24)20-6-3-2-4-7-20)19-10-12-21(13-11-19)29(31)16-30(34,17-29)22-14-15-22/h2-13,22,34H,14-18,31H2,1H3
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n/an/a 0.350n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126618
PNG
(US8772283, 62)
Show InChI InChI=1S/C28H26N4O3/c1-27(34)14-28(30,15-27)20-10-7-17(8-11-20)23-24(18-5-3-2-4-6-18)32-16-35-22-13-19(25(29)33)9-12-21(22)26(32)31-23/h2-13,34H,14-16,30H2,1H3,(H2,29,33)
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n/an/a 0.400n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126617
PNG
(US8772283, 61)
Show InChI InChI=1S/C30H30N4O4/c1-3-38-33-28(35)21-11-14-24-23(15-21)27-32-25(26(34(27)18-37-24)20-7-5-4-6-8-20)19-9-12-22(13-10-19)30(31)16-29(2,36)17-30/h4-15,36H,3,16-18,31H2,1-2H3,(H,33,35)
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126605
PNG
(US8772283, 49)
Show InChI InChI=1S/C30H27N5O2/c1-29(36)16-30(31,17-29)23-10-7-19(8-11-23)26-27(20-5-3-2-4-6-20)35-18-37-25-12-9-21(22-14-32-33-15-22)13-24(25)28(35)34-26/h2-15,36H,16-18,31H2,1H3,(H,32,33)
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n/an/a 0.420n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126591
PNG
(US8772283, 35)
Show SMILES NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3ccncc3OCn2c1-c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c29-27(15-28(33,16-27)21-10-11-21)20-8-6-18(7-9-20)24-25(19-4-2-1-3-5-19)32-17-34-23-14-30-13-12-22(23)26(32)31-24/h1-9,12-14,21,33H,10-11,15-17,29H2
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n/an/a 0.480n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126612
PNG
(US8772283, 56)
Show InChI InChI=1S/C29H28N4O3/c1-28(35)15-29(30,16-28)21-11-8-18(9-12-21)24-25(19-6-4-3-5-7-19)33-17-36-23-14-20(27(34)31-2)10-13-22(23)26(33)32-24/h3-14,35H,15-17,30H2,1-2H3,(H,31,34)
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n/an/a 0.490n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.5n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM126558
PNG
(US8772283, 2)
Show InChI InChI=1S/C27H24FN3O2/c1-26(32)14-27(29,15-26)19-12-10-17(11-13-19)23-24(18-6-3-2-4-7-18)31-16-33-21-9-5-8-20(28)22(21)25(31)30-23/h2-13,32H,14-16,29H2,1H3
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
Preparation of AKT1 and AKT2 and measurement of in vitro inhibitory activity of the above-mentioned compounds against AKT1 and AKT2 kinase activity w...


US Patent US8772283 (2014)

More data for this
Ligand-Target Pair
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