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Compile Data Set for Download or QSAR

Found 3829 hits Enz. Inhib. hit(s) with Target = 'Protein kinase B (Akt 1)' 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
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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0.0400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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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0.0500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(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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0.160 -55.3n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
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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0.160n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
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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0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
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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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15136
PNG
(5-indazolyl pyridine 11e | 5-{5-[(2S)-2-amino-3-(2...)
Show SMILES COc1ccc2ccccc2c1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1
Show InChI InChI=1S/C27H26N4O2/c1-17-24-12-19(7-9-26(24)31-30-17)20-11-22(15-29-14-20)33-16-21(28)13-25-23-6-4-3-5-18(23)8-10-27(25)32-2/h3-12,14-15,21H,13,16,28H2,1-2H3,(H,30,31)/t21-/m0/s1
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1.10 -50.6n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
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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1.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
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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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
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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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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2 -49.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15132
PNG
(5-indazolyl pyridine 11a | 5-{5-[(2S)-2-amino-3-(2...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)[nH]c3ccccc23)c1
Show InChI InChI=1S/C25H25N5O/c1-15-22(21-5-3-4-6-24(21)28-15)11-19(26)14-31-20-9-18(12-27-13-20)17-7-8-25-23(10-17)16(2)29-30-25/h3-10,12-13,19,28H,11,14,26H2,1-2H3,(H,29,30)/t19-/m0/s1
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2.10 -49.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
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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3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15134
PNG
(5-indazolyl pyridine 11c | 5-{5-[(2S)-2-amino-3-(n...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C26H24N4O/c1-17-25-13-21(8-9-26(25)30-29-17)22-12-24(15-28-14-22)31-16-23(27)11-18-6-7-19-4-2-3-5-20(19)10-18/h2-10,12-15,23H,11,16,27H2,1H3,(H,29,30)/t23-/m0/s1
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3.20 -48.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15125
PNG
(5-isoquinolinyl pyridine 10d | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H23N3O/c28-26(12-19-5-6-20-3-1-2-4-21(20)11-19)18-31-27-14-25(16-30-17-27)22-7-8-24-15-29-10-9-23(24)13-22/h1-11,13-17,26H,12,18,28H2/t26-/m0/s1
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3.5 -47.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
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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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15133
PNG
(5-indazolyl pyridine 11b | 5-{5-[(2S)-2-amino-3-(1...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2csc3ccccc23)c1
Show InChI InChI=1S/C24H22N4OS/c1-15-22-10-16(6-7-23(22)28-27-15)17-9-20(12-26-11-17)29-13-19(25)8-18-14-30-24-5-3-2-4-21(18)24/h2-7,9-12,14,19H,8,13,25H2,1H3,(H,27,28)/t19-/m0/s1
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6.60 -46.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15123
PNG
(5-isoquinolinyl pyridine 10b | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1n[nH]c2ccccc12
Show InChI InChI=1S/C24H21N5O/c25-20(11-24-22-3-1-2-4-23(22)28-29-24)15-30-21-10-19(13-27-14-21)16-5-6-18-12-26-8-7-17(18)9-16/h1-10,12-14,20H,11,15,25H2,(H,28,29)/t20-/m0/s1
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6.80 -46.1n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15145
PNG
(5-indazolyl pyridine 16 | N-[(2S)-2-amino-3-phenyl...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(NC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C22H23N5/c1-15-21-11-17(7-8-22(21)27-26-15)18-10-20(14-24-12-18)25-13-19(23)9-16-5-3-2-4-6-16/h2-8,10-12,14,19,25H,9,13,23H2,1H3,(H,26,27)/t19-/m0/s1
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8.30 -45.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15135
PNG
(5-indazolyl pyridine 11d | 5-{5-[(2S)-2-amino-3-(n...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C26H24N4O/c1-17-25-13-19(9-10-26(25)30-29-17)21-12-23(15-28-14-21)31-16-22(27)11-20-7-4-6-18-5-2-3-8-24(18)20/h2-10,12-15,22H,11,16,27H2,1H3,(H,29,30)/t22-/m0/s1
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8.30 -45.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361651
PNG
(CHEMBL1940249)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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11 -45.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
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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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15122
PNG
(5-isoquinolinyl pyridine 10a | 6-{5-[(2S)-2-amino-...)
Show SMILES Cn1cc(C[C@H](N)COc2cncc(c2)-c2ccc3cnccc3c2)c2ccccc12
Show InChI InChI=1S/C26H24N4O/c1-30-16-22(25-4-2-3-5-26(25)30)11-23(27)17-31-24-12-21(14-29-15-24)18-6-7-20-13-28-9-8-19(20)10-18/h2-10,12-16,23H,11,17,27H2,1H3/t23-/m0/s1
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54.6 -41.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15124
PNG
(5-isoquinolinyl pyridine 10c | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1csc2ccccc12
Show InChI InChI=1S/C25H21N3OS/c26-22(10-21-16-30-25-4-2-1-3-24(21)25)15-29-23-11-20(13-28-14-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-14,16,22H,10,15,26H2/t22-/m0/s1
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63.7 -40.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15144
PNG
(5-(5-{[(2S)-2-amino-5-phenylpentyl]oxy}pyridin-3-y...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CCCc2ccccc2)c1
Show InChI InChI=1S/C24H26N4O/c1-17-23-13-19(10-11-24(23)28-27-17)20-12-22(15-26-14-20)29-16-21(25)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-15,21H,5,8-9,16,25H2,1H3,(H,27,28)/t21-/m0/s1
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70.6 -40.4n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50304360
PNG
(BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSP...)
Show SMILES OP(O)(=O)Oc1ccc(OP(O)(O)=O)c(OP(O)(O)=O)c1OP(O)(O)=O
Show InChI InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)
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80n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Inhibition of pleckstrin homology domain of AKT by surface plasmon resonance spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15126
PNG
(5-isoquinolinyl pyridine 10e | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1cnc2ccccc2c1
Show InChI InChI=1S/C26H22N4O/c27-24(10-18-9-21-3-1-2-4-26(21)30-13-18)17-31-25-12-23(15-29-16-25)19-5-6-22-14-28-8-7-20(22)11-19/h1-9,11-16,24H,10,17,27H2/t24-/m0/s1
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85 -40.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15127
PNG
(5-isoquinolinyl pyridine 10f | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H21N3O/c24-22(10-17-4-2-1-3-5-17)16-27-23-12-21(14-26-15-23)18-6-7-20-13-25-9-8-19(20)11-18/h1-9,11-15,22H,10,16,24H2/t22-/m0/s1
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89.6 -39.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361652
PNG
(CHEMBL1940250)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
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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115n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361642
PNG
(CHEMBL1940251)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1
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170n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15137
PNG
(3-[(2S)-2-amino-3-{[5-(3-methyl-1H-indazol-5-yl)py...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cnc3ccccc3c2)c1
Show InChI InChI=1S/C25H23N5O/c1-16-23-11-18(6-7-25(23)30-29-16)20-10-22(14-27-13-20)31-15-21(26)9-17-8-19-4-2-3-5-24(19)28-12-17/h2-8,10-14,21H,9,15,26H2,1H3,(H,29,30)/t21-/m0/s1
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185 -38.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15143
PNG
(5-(5-{[(4R)-4-amino-5-phenylpentyl]oxy}pyridin-3-y...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OCCC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C24H26N4O/c1-17-23-14-19(9-10-24(23)28-27-17)20-13-22(16-26-15-20)29-11-5-8-21(25)12-18-6-3-2-4-7-18/h2-4,6-7,9-10,13-16,21H,5,8,11-12,25H2,1H3,(H,27,28)/t21-/m1/s1
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197 -37.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361648
PNG
(CHEMBL1940246)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1
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210n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361650
PNG
(CHEMBL1940248)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1
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230n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15141
PNG
(5-indazolyl pyridine 11j | 5-{5-[(2S)-2-amino-2-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)c2ccccc2)c1
Show InChI InChI=1S/C21H20N4O/c1-14-19-10-16(7-8-21(19)25-24-14)17-9-18(12-23-11-17)26-13-20(22)15-5-3-2-4-6-15/h2-12,20H,13,22H2,1H3,(H,24,25)/t20-/m1/s1
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233 -37.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15146
PNG
(5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfan...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(SC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5S/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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244 -37.4n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361649
PNG
(CHEMBL1938415)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12
Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1
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260n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15142
PNG
(5-indazolyl pyridine 11k | 5-{5-[(3S)-3-amino-4-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OCC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-22-13-18(7-8-23(22)27-26-16)19-12-21(15-25-14-19)28-10-9-20(24)11-17-5-3-2-4-6-17/h2-8,12-15,20H,9-11,24H2,1H3,(H,26,27)/t20-/m1/s1
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289 -36.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
AKT


(Homo sapiens (human))
BDBM50361643
PNG
(CHEMBL1940252)
Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12
Show InChI InChI=1S/C26H27FN8O2/c1-14(2)35-12-18(22-25(28)30-13-31-26(22)35)24(37)20-10-29-11-21(33-20)32-19-8-9-34(15(3)36)23(19)16-4-6-17(27)7-5-16/h4-7,10-14,19,23H,8-9H2,1-3H3,(H,32,33)(H2,28,30,31)/t19-,23-/m1/s1
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360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15140
PNG
(5-indazolyl pyridine 11i | 5-{5-[(2S)-2-amino-3-cy...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CC2CCCCC2)c1
Show InChI InChI=1S/C22H28N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h7-8,10-13,16,19H,2-6,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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368 -36.4n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15130
PNG
(5-isoquinolinyl pyridine 10i | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)c1ccccc1
Show InChI InChI=1S/C22H19N3O/c23-22(16-4-2-1-3-5-16)15-26-21-11-20(13-25-14-21)17-6-7-19-12-24-9-8-18(19)10-17/h1-14,22H,15,23H2/t22-/m1/s1
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465 -35.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15147
PNG
(5-indazolyl pyridine 24 | 5-{5-[(2R)-2-amino-3-phe...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m1/s1
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626 -35.1n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (human))
BDBM15129
PNG
(5-isoquinolinyl pyridine 10h | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)CC1CCCCC1
Show InChI InChI=1S/C23H27N3O/c24-22(10-17-4-2-1-3-5-17)16-27-23-12-21(14-26-15-23)18-6-7-20-13-25-9-8-19(20)11-18/h6-9,11-15,17,22H,1-5,10,16,24H2/t22-/m0/s1
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672 -34.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Citation and Details
More data for this
Ligand-Target Pair
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