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PubMed code 14998327

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11823
PNG
(Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
Show InChI InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1
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n/an/a 2n/an/an/an/a7.222



Roche Diagnostics GmbH



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11823
PNG
(Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
Show InChI InChI=1S/C27H27FN4O5/c1-37-22-9-8-21(33)23(24(22)28)25(34)16-4-6-17(7-5-16)26(35)31-19-3-2-12-30-15-20(19)32-27(36)18-10-13-29-14-11-18/h4-11,13-14,19-20,30,33H,2-3,12,15H2,1H3,(H,31,35)(H,32,36)/t19-,20-/m1/s1
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n/an/a 4n/an/an/an/a7.522



Roche Diagnostics GmbH



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11822
PNG
((3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-flu...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
Show InChI InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19-,21-/m1/s1
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n/an/a 5n/an/an/an/a7.222



Roche Diagnostics GmbH



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11822
PNG
((3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-flu...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
Show InChI InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19-,21-/m1/s1
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n/an/a 5n/an/an/an/a7.522



Roche Diagnostics GmbH



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11824
PNG
(Azepane Derivative 5 | N-((3R,4R)-4-{[4-(2-fluoro-...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20-,22-/m1/s1
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n/an/a 39n/an/an/an/a7.222



Roche Diagnostics GmbH



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11827
PNG
(Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1
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n/an/a 160n/an/an/an/a7.522



Roche Diagnostics GmbH



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11824
PNG
(Azepane Derivative 5 | N-((3R,4R)-4-{[4-(2-fluoro-...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C27H28FN3O5/c1-35-23-9-8-21(32)24(25(23)28)26(33)18-6-4-17(5-7-18)16-36-22-3-2-12-30-15-20(22)31-27(34)19-10-13-29-14-11-19/h4-11,13-14,20,22,30,32H,2-3,12,15-16H2,1H3,(H,31,34)/t20-,22-/m1/s1
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n/an/a 355n/an/an/an/a7.522



Roche Diagnostics GmbH



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11827
PNG
(Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C28H28FN3O4/c1-36-24-11-10-23(33)25(26(24)29)27(34)20-8-5-18(6-9-20)4-7-19-3-2-14-31-17-22(19)32-28(35)21-12-15-30-16-13-21/h4-13,15-16,19,22,31,33H,2-3,14,17H2,1H3,(H,32,35)/b7-4+/t19-,22+/m0/s1
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n/an/a 360n/an/an/an/a7.222



Roche Diagnostics GmbH



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11826
PNG
(Azepane Derivative 7 | N-((3R,4R)-4-{[4-(2-fluoro-...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(CN[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)18-6-4-17(5-7-18)15-31-20-3-2-12-30-16-21(20)32-27(35)19-10-13-29-14-11-19/h4-11,13-14,20-21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t20-,21-/m1/s1
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n/an/a 800n/an/an/an/a7.222



Roche Diagnostics GmbH



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11826
PNG
(Azepane Derivative 7 | N-((3R,4R)-4-{[4-(2-fluoro-...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(CN[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)18-6-4-17(5-7-18)15-31-20-3-2-12-30-16-21(20)32-27(35)19-10-13-29-14-11-19/h4-11,13-14,20-21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t20-,21-/m1/s1
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n/an/a 3.00E+3n/an/an/an/a7.522



Roche Diagnostics GmbH



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11825
PNG
(Azepane Derivative 6 | N-[(3S,4S)-4-({[4-(2-fluoro...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(NC[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)17-4-6-20(7-5-17)31-15-19-3-2-12-30-16-21(19)32-27(35)18-10-13-29-14-11-18/h4-11,13-14,19,21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t19-,21+/m0/s1
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n/an/a 2.50E+4n/an/an/an/a7.522



Roche Diagnostics GmbH



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11825
PNG
(Azepane Derivative 6 | N-[(3S,4S)-4-({[4-(2-fluoro...)
Show SMILES COc1ccc(O)c(C(=O)c2ccc(NC[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
Show InChI InChI=1S/C27H29FN4O4/c1-36-23-9-8-22(33)24(25(23)28)26(34)17-4-6-20(7-5-17)31-15-19-3-2-12-30-16-21(19)32-27(35)18-10-13-29-14-11-18/h4-11,13-14,19,21,30-31,33H,2-3,12,15-16H2,1H3,(H,32,35)/t19-,21+/m0/s1
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n/an/a 4.50E+4n/an/an/an/a7.222



Roche Diagnostics GmbH



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 47: 1375-90 (2004)


Article DOI: 10.1021/jm0310479
BindingDB Entry DOI: 10.7270/Q2WM1BNX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%