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24 similar compounds to monomer 16532

Compile data set for download or QSAR
Wt: 397.4
BDBM15131
Purchase
Wt: 411.4
BDBM15132
Wt: 427.4
BDBM16587
Wt: 384.4
BDBM16789
Wt: 345.3
BDBM16790
Wt: 359.4
BDBM16791
Wt: 375.4
BDBM16793
Wt: 371.4
BDBM16794
Wt: 421.4
BDBM16797
Wt: 464.5
BDBM50305883
Wt: 411.4
BDBM50298457
Wt: 459.5
BDBM50298460
Wt: 448.5
BDBM50298464
Wt: 377.4
BDBM50298467
Wt: 401.5
BDBM50298468
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 15131,15132,16587,16789,16790,16791,16793,16794,16797,50305883,50298457,50298460,50298464,50298467,50298468   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 -13.2n/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...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(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


Nat Chem Biol 5: 484-93 (2009)


Article DOI: 10.1038/nchembio.183
BindingDB Entry DOI: 10.7270/Q2D21XTB
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 -11.7n/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...


Bioorg Med Chem Lett 16: 3740-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.046
BindingDB Entry DOI: 10.7270/Q2ZP44C9
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16790
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1ccccc1
Show InChI InChI=1S/C20H19N5O/c21-17(6-14-4-2-1-3-5-14)13-26-18-7-15(9-22-11-18)19-8-16-10-24-25-20(16)12-23-19/h1-5,7-12,17H,6,13,21H2,(H,24,25)/t17-/m0/s1
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n/an/a 223n/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...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16791
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-py...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-14-19-9-20(24-12-21(19)26-25-14)16-8-18(11-23-10-16)27-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,25,26)/t17-/m0/s1
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n/an/a 25n/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...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16793
PNG
(5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3...)
Show SMILES Cc1n[nH]c2c[n+]([O-])c(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C21H21N5O2/c1-14-19-9-21(26(27)12-20(19)25-24-14)16-8-18(11-23-10-16)28-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,24,25)/t17-/m0/s1
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n/an/a 104n/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...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16794
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2c(C=C)n[nH]c2cn1)Cc1ccccc1
Show InChI InChI=1S/C22H21N5O/c1-2-20-19-10-21(25-13-22(19)27-26-20)16-9-18(12-24-11-16)28-14-17(23)8-15-6-4-3-5-7-15/h2-7,9-13,17H,1,8,14,23H2,(H,26,27)/t17-/m0/s1
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n/an/a 13n/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...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16797
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-py...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C26H23N5O/c27-21(11-18-7-3-1-4-8-18)17-32-22-12-20(14-28-15-22)24-13-23-25(16-29-24)30-31-26(23)19-9-5-2-6-10-19/h1-10,12-16,21H,11,17,27H2,(H,30,31)/t21-/m0/s1
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n/an/a 8.30n/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...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16789
PNG
(3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1-4,6-12,17,25H,5,13,23H2,(H,27,28)/t17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16791
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-py...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-14-19-9-20(24-12-21(19)26-25-14)16-8-18(11-23-10-16)27-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,25,26)/t17-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16794
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2c(C=C)n[nH]c2cn1)Cc1ccccc1
Show InChI InChI=1S/C22H21N5O/c1-2-20-19-10-21(25-13-22(19)27-26-20)16-9-18(12-24-11-16)28-14-17(23)8-15-6-4-3-5-7-15/h2-7,9-13,17H,1,8,14,23H2,(H,26,27)/t17-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16797
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-py...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C26H23N5O/c27-21(11-18-7-3-1-4-8-18)17-32-22-12-20(14-28-15-22)24-13-23-25(16-29-24)30-31-26(23)19-9-5-2-6-10-19/h1-10,12-16,21H,11,17,27H2,(H,30,31)/t21-/m0/s1
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n/an/a 371n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(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...


J Mol Biol 367: 882-94 (2007)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q29Z934H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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 27n/an/an/an/a7.222



Astex



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


J Mol Biol 367: 882-94 (2007)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q29Z934H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 0.160n/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...


J Med Chem 50: 2990-3003 (2007)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q24X562F
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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 6n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


J Med Chem 50: 2990-3003 (2007)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q24X562F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(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 0.160n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50298457
PNG
((S)-1-(5-(3-ethyl-1H-indazol-5-yl)pyridin-3-yloxy)...)
Show SMILES CCc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C25H25N5O/c1-2-23-22-11-16(7-8-25(22)30-29-23)17-10-20(14-27-12-17)31-15-19(26)9-18-13-28-24-6-4-3-5-21(18)24/h3-8,10-14,19,28H,2,9,15,26H2,1H3,(H,29,30)/t19-/m0/s1
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n/an/a 1.15n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50298460
PNG
((S)-1-(1H-indol-3-yl)-3-(5-(3-phenyl-1H-indazol-5-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(-c3ccccc3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N5O/c30-23(12-22-16-32-27-9-5-4-8-25(22)27)18-35-24-13-21(15-31-17-24)20-10-11-28-26(14-20)29(34-33-28)19-6-2-1-3-7-19/h1-11,13-17,23,32H,12,18,30H2,(H,33,34)/t23-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50298464
PNG
((S)-1-(5-(3-(1H-pyrrol-2-yl)-1H-indazol-5-yl)pyrid...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(-c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H24N6O/c28-20(10-19-14-31-24-5-2-1-4-22(19)24)16-34-21-11-18(13-29-15-21)17-7-8-25-23(12-17)27(33-32-25)26-6-3-9-30-26/h1-9,11-15,20,30-31H,10,16,28H2,(H,32,33)/t20-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM16794
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2c(C=C)n[nH]c2cn1)Cc1ccccc1
Show InChI InChI=1S/C22H21N5O/c1-2-20-19-10-21(25-13-22(19)27-26-20)16-9-18(12-24-11-16)28-14-17(23)8-15-6-4-3-5-7-15/h2-7,9-13,17H,1,8,14,23H2,(H,26,27)/t17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM16791
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-py...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C21H21N5O/c1-14-19-9-20(24-12-21(19)26-25-14)16-8-18(11-23-10-16)27-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,25,26)/t17-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50298467
PNG
((S)-1-(3-fluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2)c1
Show InChI InChI=1S/C21H20FN5O/c1-13-19-8-20(25-11-21(19)27-26-13)15-7-18(10-24-9-15)28-12-17(23)6-14-3-2-4-16(22)5-14/h2-5,7-11,17H,6,12,23H2,1H3,(H,26,27)/t17-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50298468
PNG
((S)-1-mesityl-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyr...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)cc(C)cc2C)c1
Show InChI InChI=1S/C24H27N5O/c1-14-5-15(2)21(16(3)6-14)8-19(25)13-30-20-7-18(10-26-11-20)23-9-22-17(4)28-29-24(22)12-27-23/h5-7,9-12,19H,8,13,25H2,1-4H3,(H,28,29)/t19-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
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
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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n/an/a 1n/an/an/an/an/an/a



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
Serine/threonine-protein kinase AKT2


(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
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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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT2


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))
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
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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n/an/a 1n/an/an/an/an/an/a



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
Glycogen synthase kinase-3 beta


(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
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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n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells


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
Cytochrome P450 3A


(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
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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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 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)


Article DOI: 10.1038/nchembio.183
BindingDB Entry DOI: 10.7270/Q2D21XTB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(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 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)


Article DOI: 10.1038/nchembio.183
BindingDB Entry DOI: 10.7270/Q2D21XTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16789
PNG
(3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1-4,6-12,17,25H,5,13,23H2,(H,27,28)/t17-/m0/s1
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n/an/a 0.600n/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...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
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 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)


Article DOI: 10.1038/nchembio.183
BindingDB Entry DOI: 10.7270/Q2D21XTB
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16587
PNG
((2S)-1-{[5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-y...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O/c1-13-19-8-20(28-11-21(19)30-29-13)15-7-18(10-27-9-15)31-12-17(26)6-14-3-2-4-16(5-14)22(23,24)25/h2-5,7-11,17H,6,12,26H2,1H3,(H,29,30)/t17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



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...


J Med Chem 50: 2990-3003 (2007)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q24X562F
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16587
PNG
((2S)-1-{[5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-y...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O/c1-13-19-8-20(28-11-21(19)30-29-13)15-7-18(10-27-9-15)31-12-17(26)6-14-3-2-4-16(5-14)22(23,24)25/h2-5,7-11,17H,6,12,26H2,1H3,(H,29,30)/t17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


J Med Chem 50: 2990-3003 (2007)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q24X562F
More data for this
Ligand-Target Pair