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Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'packard' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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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16 -44.0n/an/an/an/an/a7.422



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 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
3D
3D Structure (crystal)
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...


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))
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...


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))
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...


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))
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



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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))
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



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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))
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



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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))
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



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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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
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...


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))
BDBM15128
PNG
(5-isoquinolinyl pyridine 10g | 6-{5-[(2S)-2-amino-...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccncc1
Show InChI InChI=1S/C22H20N4O/c23-21(9-16-3-6-24-7-4-16)15-27-22-11-20(13-26-14-22)17-1-2-19-12-25-8-5-18(19)10-17/h1-8,10-14,21H,9,15,23H2/t21-/m0/s1
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1.53E+3 -32.9n/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...


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))
BDBM15139
PNG
(5-indazolyl pyridine 11h | 5-{5-[(2S)-2-amino-3-(p...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccncc2)c1
Show InChI InChI=1S/C21H21N5O/c1-14-20-10-16(2-3-21(20)26-25-14)17-9-19(12-24-11-17)27-13-18(22)8-15-4-6-23-7-5-15/h2-7,9-12,18H,8,13,22H2,1H3,(H,25,26)/t18-/m0/s1
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3.28E+3 -31.0n/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...


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))
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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n/an/a 1.30n/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...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.5n/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: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
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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n/an/a 2.10n/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 Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50093070
PNG
(CHEMBL3586561)
Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1
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n/an/a 3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 3.60n/an/an/an/a7.422



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 Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50092784
PNG
(CHEMBL3586382)
Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc(cc1)-c1nc[nH]n1
Show InChI InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (Human))
BDBM50093070
PNG
(CHEMBL3586561)
Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50092785
PNG
(CHEMBL3586383)
Show SMILES Cc1cc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50092786
PNG
(CHEMBL3586384)
Show SMILES Cc1cc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-25-13-26-28-20)2-3-17(14)18-11-23-21-22(27-18)29(19(30)12-24-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,24)(H,25,26,28)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (Human))
BDBM50093075
PNG
(CHEMBL3586566)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1
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n/an/a 6n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.5n/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: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6.60n/an/an/an/a7.422



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 Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(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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n/an/a 6.80n/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...


Bioorg Med Chem Lett 16: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (Human))
BDBM50092782
PNG
(CHEMBL3586387)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28)
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50431521
PNG
(CHEMBL2348864)
Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1
Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27)
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50093075
PNG
(CHEMBL3586566)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1
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n/an/a 8n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50092783
PNG
(CHEMBL3586404)
Show SMILES CO[C@H]1CC[C@@H](CC1)N1C(=O)CNc2ncc(nc12)-c1ccc(nc1)C(C)(C)O
Show InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)/t14-,15-
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (Human))
BDBM50093077
PNG
(CHEMBL3586568)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(C3CCOCC3)c2n1)-c1nc[nH]n1
Show InChI InChI=1S/C19H20N8O2/c1-11-13(2-3-14(24-11)17-22-10-23-26-17)15-8-20-18-19(25-15)27(16(28)9-21-18)12-4-6-29-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)(H,22,23,26)
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/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: 2000-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.065
BindingDB Entry DOI: 10.7270/Q2765CKX
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (Human))
BDBM50093080
PNG
(CHEMBL3586571)
Show SMILES COCCN1C(=O)CNc2ncc(nc12)-c1ccc(nc1C)-c1nc[nH]n1
Show InChI InChI=1S/C17H18N8O2/c1-10-11(3-4-12(22-10)15-20-9-21-24-15)13-7-18-16-17(23-13)25(5-6-27-2)14(26)8-19-16/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,19)(H,20,21,24)
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n/an/a 10n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50092769
PNG
(CHEMBL3586397)
Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2)C(C)(C)O)CC1
Show InChI InChI=1S/C20H22ClFN2/c21-17-2-1-3-19(13-17)24-10-8-23(9-11-24)14-16-12-20(16)15-4-6-18(22)7-5-15/h1-7,13,16,20H,8-12,14H2/t16-,20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay


J Med Chem 58: 5323-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (Human))
BDBM50093076
PNG
(CHEMBL3586567)
Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1
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n/an/a 12n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr


J Med Chem 58: 5599-608 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV
More data for this
Ligand-Target Pair
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