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PubMed code 19465931

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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/p21CIP1


(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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Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT1 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50326705
PNG
(3-bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-p...)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
Show InChI InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)
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PubMed
n/an/a 9.10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of S6K1


Nat Chem Biol 5: 484-93 (2009)

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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PubMed
n/an/a 30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT2 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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PubMed
n/an/a 51n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT3 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50326706
PNG
((S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-7-propyl-1H-i...)
Show SMILES CCCc1cc(cc2c(C)n[nH]c12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C27H29N5O/c1-3-6-18-9-19(12-25-17(2)31-32-27(18)25)20-11-23(15-29-13-20)33-16-22(28)10-21-14-30-26-8-5-4-7-24(21)26/h4-5,7-9,11-15,22,30H,3,6,10,16,28H2,1-2H3,(H,31,32)/t22-/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT1 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

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


(Homo sapiens (human))
BDBM50326706
PNG
((S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-7-propyl-1H-i...)
Show SMILES CCCc1cc(cc2c(C)n[nH]c12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C27H29N5O/c1-3-6-18-9-19(12-25-17(2)31-32-27(18)25)20-11-23(15-29-13-20)33-16-22(28)10-21-14-30-26-8-5-4-7-24(21)26/h4-5,7-9,11-15,22,30H,3,6,10,16,28H2,1-2H3,(H,31,32)/t22-/m0/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT2 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50326707
PNG
(1-tert-butyl-3-(3-iodobenzyl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)(C)n1nc(Cc2cccc(I)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18IN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT1 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

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


(Homo sapiens (human))
BDBM50326706
PNG
((S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-7-propyl-1H-i...)
Show SMILES CCCc1cc(cc2c(C)n[nH]c12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C27H29N5O/c1-3-6-18-9-19(12-25-17(2)31-32-27(18)25)20-11-23(15-29-13-20)33-16-22(28)10-21-14-30-26-8-5-4-7-24(21)26/h4-5,7-9,11-15,22,30H,3,6,10,16,28H2,1-2H3,(H,31,32)/t22-/m0/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT3 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

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


(Homo sapiens (human))
BDBM50326707
PNG
(1-tert-butyl-3-(3-iodobenzyl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)(C)n1nc(Cc2cccc(I)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18IN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT2 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

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


(Homo sapiens (human))
BDBM50326707
PNG
(1-tert-butyl-3-(3-iodobenzyl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)(C)n1nc(Cc2cccc(I)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H18IN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of myristoylated wild type AKT3 expressed in HEK293T cells by in-vitro immunoprecipitation kinase assay


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50326705
PNG
(3-bromo-4-(4-(2-methoxyphenyl)piperazin-1-yl)-1H-p...)
Show SMILES COc1ccccc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
Show InChI InChI=1S/C16H17BrN6O/c1-24-12-5-3-2-4-11(12)22-6-8-23(9-7-22)16-13-14(17)20-21-15(13)18-10-19-16/h2-5,10H,6-9H2,1H3,(H,18,19,20,21)
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Nat Chem Biol 5: 484-93 (2009)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%