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Compile Data Set for Download or QSAR

Found 899 hits Enz. Inhib. hit(s) with Target = 'cAMP-dependent protein kinase (PKA)'   
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) Mutant PKAR1 (1)


(Bos taurus (bovine))
BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 1.03E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (2)


(Bos taurus (bovine))
BDBM14030
PNG
(KT5720 | hexyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
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n/an/a 222n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (2)


(Bos taurus (bovine))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 6.00E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (1)


(Bos taurus (bovine))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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PubMed
n/an/a 893n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (1)


(Bos taurus (bovine))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 426n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (1)


(Bos taurus (bovine))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 2.80E+4n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (2)


(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<45n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (1)


(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 47n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (2)


(Bos taurus (bovine))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 7.61E+3n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA) Mutant PKAR1 (2)


(Bos taurus (bovine))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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n/an/a 1.52E+3n/an/an/an/a6.825



German Cancer Research Center



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 24818-30 (2006)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2PG1PZV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Rattus norvegicus (rat))
BDBM2682
PNG
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-[1...)
Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C28H30N4O3/c1-30(2)13-8-14-31-17-21(19-9-4-6-11-23(19)31)25-26(28(34)29-27(25)33)22-18-32(15-16-35-3)24-12-7-5-10-20(22)24/h4-7,9-12,17-18H,8,13-16H2,1-3H3,(H,29,33,34)
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n/an/a 6.00E+3n/an/an/an/a7.030



Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm0508282
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Rattus norvegicus (rat))
BDBM2681
PNG
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)
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n/an/a 3.50E+3n/an/an/an/a7.030



Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm0508282
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Rattus norvegicus (rat))
BDBM2583
PNG
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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n/an/a 2.00E+3n/an/an/an/a7.030



Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm0508282
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM25473
PNG
(N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 940n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM25474
PNG
(JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
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n/an/a 3.97E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
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n/an/a 186n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM25471
PNG
(N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)
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n/an/a 692n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a 637n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14800
PNG
(2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-et...)
Show SMILES OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14801
PNG
(2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}(methyl)...)
Show SMILES CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14799
PNG
(2-[5,6-Bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27244
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C32H54N16O8/c33-25-21-27(44-15-43-25)48(16-45-21)30-23(52)22(51)24(56-30)29(55)40-11-3-1-2-9-19(49)39-12-6-10-20(50)46-18(8-5-14-42-32(37)38)28(54)47-17(26(34)53)7-4-13-41-31(35)36/h15-18,22-24,30,51-52H,1-14H2,(H2,34,53)(H,39,49)(H,40,55)(H,46,50)(H,47,54)(H2,33,43,44)(H4,35,36,41)(H4,37,38,42)/t17-,18-,22+,23-,24+,30-/m1/s1
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n/an/an/a 247n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27243
PNG
(6-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C34H58N16O8/c35-27-23-29(46-17-45-27)50(18-47-23)32-25(54)24(53)26(58-32)31(57)42-14-6-1-3-11-21(51)41-13-5-2-4-12-22(52)48-20(10-8-16-44-34(39)40)30(56)49-19(28(36)55)9-7-15-43-33(37)38/h17-20,24-26,32,53-54H,1-16H2,(H2,36,55)(H,41,51)(H,42,57)(H,48,52)(H,49,56)(H2,35,45,46)(H4,37,38,43)(H4,39,40,44)/t19-,20-,24+,25-,26+,32-/m1/s1
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n/an/an/a 83n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14802
PNG
((5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acet...)
Show SMILES OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14803
PNG
(2-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C20H18N4O/c25-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)24-20(17)23-13-22-19/h1-10,13,25H,11-12H2,(H2,21,22,23,24)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14804
PNG
(1-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM14805
PNG
(3-(5,6-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Human PKA kinase activity was assayed in reaction buffer containing substrate Kemptide, enzyme, and inhibitor in the presence of 100uM ATP/[gamma-33P...


J Med Chem 48: 4332-45 (2005)


Article DOI: 10.1021/jm049022c
BindingDB Entry DOI: 10.7270/Q2WW7FXS
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM16589
PNG
(4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(7-9-18(19)26)12-6-8-14-17(10-12)24-25-20(14)21-22-15-4-2-3-5-16(15)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
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n/an/a 1.72E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM16590
PNG
(2-(1H-indazol-3-yl)-1H-1,3-benzodiazole | 3-(1H-be...)
Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
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n/an/a>2.00E+5n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM16591
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 190n/an/an/an/a7.530



Vernalis (R&D) Ltd



Assay Description
Kinase activity was assayed in reaction buffer containing substrate peptide, enzyme, and inhibitor compound in the presence ATP/[gamma-33P] ATP. 33P ...


Bioorg Med Chem 14: 1792-804 (2006)


Article DOI: 10.1016/j.bmc.2005.10.022
BindingDB Entry DOI: 10.7270/Q2154F9K
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27245
PNG
(8-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C36H62N16O8/c37-29-25-31(48-19-47-29)52(20-49-25)34-27(56)26(55)28(60-34)33(59)44-16-8-4-6-13-23(53)43-15-7-3-1-2-5-14-24(54)50-22(12-10-18-46-36(41)42)32(58)51-21(30(38)57)11-9-17-45-35(39)40/h19-22,26-28,34,55-56H,1-18H2,(H2,38,57)(H,43,53)(H,44,59)(H,50,54)(H,51,58)(H2,37,47,48)(H4,39,40,45)(H4,41,42,46)/t21-,22-,26+,27-,28+,34-/m1/s1
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n/an/an/a 95.4n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27246
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24+,25-,29-,30+,31-,38+/m0/s1
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n/an/an/a 8.70n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27247
PNG
((2S)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24+,25-,29+,30-,31+,38-/m1/s1
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n/an/an/a 594n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM81376
PNG
(Amine compound, 13a)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1
Show InChI InChI=1S/C42H47F3N8O7/c1-29-7-8-33(52-41(55)30-4-2-5-31(24-30)42(43,44)45)25-36(29)53-40-35(6-3-14-48-40)37-26-38(50-28-49-37)51-32-9-11-34(12-10-32)60-17-15-47-39(54)27-59-23-22-58-21-20-57-19-18-56-16-13-46/h2-12,14,24-26,28H,13,15-23,27,46H2,1H3,(H,47,54)(H,48,53)(H,52,55)(H,49,50,51)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM81375
PNG
(Amine compound, 12a)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1
Show InChI InChI=1S/C41H46F3N9O7/c1-28-7-8-32(50-39(55)29-4-2-5-30(24-29)41(42,43)44)25-35(28)52-37-34(6-3-14-47-37)38-48-27-49-40(53-38)51-31-9-11-33(12-10-31)60-17-15-46-36(54)26-59-23-22-58-21-20-57-19-18-56-16-13-45/h2-12,14,24-25,27H,13,15-23,26,45H2,1H3,(H,46,54)(H,47,52)(H,50,55)(H,48,49,51,53)
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n/an/a>1.00E+4n/an/an/an/a7.5n/a



University of Washington



Assay Description
In vitro activity assay using various kinases.


Chem Biol 17: 195-206 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.008
BindingDB Entry DOI: 10.7270/Q2833QG7
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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n/an/an/a 23n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27222
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C28H47N15O7/c29-21-17-23(39-12-38-21)43(13-40-17)26-19(46)18(45)20(50-26)25(49)35-9-3-1-2-8-16(44)41-15(7-5-11-37-28(33)34)24(48)42-14(22(30)47)6-4-10-36-27(31)32/h12-15,18-20,26,45-46H,1-11H2,(H2,30,47)(H,35,49)(H,41,44)(H,42,48)(H2,29,38,39)(H4,31,32,36)(H4,33,34,37)/t14-,15-,18+,19-,20+,26-/m1/s1
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n/an/an/a 319n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27223
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H23N7O5/c17-8(24)4-2-1-3-5-19-15(27)12-10(25)11(26)16(28-12)23-7-22-9-13(18)20-6-21-14(9)23/h6-7,10-12,16,25-26H,1-5H2,(H2,17,24)(H,19,27)(H2,18,20,21)/t10-,11+,12-,16+/m0/s1
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n/an/an/a 2.18E+3n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27224
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C22H35N11O6/c23-17-13-19(30-9-29-17)33(10-31-13)21-15(36)14(35)16(39-21)20(38)27-7-3-1-2-6-12(34)32-11(18(24)37)5-4-8-28-22(25)26/h9-11,14-16,21,35-36H,1-8H2,(H2,24,37)(H,27,38)(H,32,34)(H2,23,29,30)(H4,25,26,28)/t11-,14+,15-,16+,21-/m1/s1
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n/an/an/a 249n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27225
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1
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n/an/an/a 7.60n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27226
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C52H94N26O11/c53-20-6-5-13-30(73-34(79)18-4-2-8-22-65-47(88)39-37(81)38(82)48(89-39)78-28-72-36-40(54)70-27-71-42(36)78)43(84)64-21-7-1-3-19-35(80)74-31(15-10-24-67-50(58)59)44(85)76-33(17-12-26-69-52(62)63)46(87)77-32(16-11-25-68-51(60)61)45(86)75-29(41(55)83)14-9-23-66-49(56)57/h27-33,37-39,48,81-82H,1-26,53H2,(H2,55,83)(H,64,84)(H,65,88)(H,73,79)(H,74,80)(H,75,86)(H,76,85)(H,77,87)(H2,54,70,71)(H4,56,57,66)(H4,58,59,67)(H4,60,61,68)(H4,62,63,69)/t29-,30-,31-,32-,33-,37+,38-,39+,48-/m1/s1
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n/an/an/a 0.5n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27227
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C64H118N34O13/c65-24-6-5-15-36(91-42(99)22-4-2-8-26-81-57(110)47-45(101)46(102)58(111-47)98-34-90-44-48(66)88-33-89-50(44)98)51(104)80-25-7-1-3-23-43(100)92-37(17-10-28-83-60(70)71)52(105)94-39(19-12-30-85-62(74)75)54(107)96-41(21-14-32-87-64(78)79)56(109)97-40(20-13-31-86-63(76)77)55(108)95-38(18-11-29-84-61(72)73)53(106)93-35(49(67)103)16-9-27-82-59(68)69/h33-41,45-47,58,101-102H,1-32,65H2,(H2,67,103)(H,80,104)(H,81,110)(H,91,99)(H,92,100)(H,93,106)(H,94,105)(H,95,108)(H,96,107)(H,97,109)(H2,66,88,89)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H4,78,79,87)/t35-,36-,37-,38-,39-,40-,41-,45+,46-,47+,58-/m1/s1
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n/an/an/a<0.5n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27228
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1
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n/an/an/a 5.80n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27229
PNG
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES C[C@@H](NC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C38H65N17O7/c1-22(52-28(57)12-4-2-7-15-46-35(61)23-18-26(27(56)19-23)55-21-51-30-31(39)49-20-50-33(30)55)34(60)45-14-6-3-5-13-29(58)53-25(11-9-17-48-38(43)44)36(62)54-24(32(40)59)10-8-16-47-37(41)42/h20-27,56H,2-19H2,1H3,(H2,40,59)(H,45,60)(H,46,61)(H,52,57)(H,53,58)(H,54,62)(H2,39,49,50)(H4,41,42,47)(H4,43,44,48)/t22-,23+,24-,25-,26-,27-/m1/s1
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n/an/an/a 1.80n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27230
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O
Show InChI InChI=1S/C16H22N6O6/c17-13-9-14(20-6-19-13)22(7-21-9)16-11(26)10(25)12(28-16)15(27)18-5-3-1-2-4-8(23)24/h6-7,10-12,16,25-26H,1-5H2,(H,18,27)(H,23,24)(H2,17,19,20)/t10-,11+,12-,16+/m0/s1
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n/an/an/a 5.58E+4n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27231
PNG
(ARC-1003, 4 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...)
Show SMILES NC(=O)CCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H21N7O6/c16-8(23)2-1-3-18-15(26)27-4-7-10(24)11(25)14(28-7)22-6-21-9-12(17)19-5-20-13(9)22/h5-7,10-11,14,24-25H,1-4H2,(H2,16,23)(H,18,26)(H2,17,19,20)/t7-,10-,11-,14-/m1/s1
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n/an/an/a 9.87E+4n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27232
PNG
(ARC-1056, 5 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9...)
Show SMILES NC(=O)CCCCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H25N7O6/c18-10(25)4-2-1-3-5-20-17(28)29-6-9-12(26)13(27)16(30-9)24-8-23-11-14(19)21-7-22-15(11)24/h7-9,12-13,16,26-27H,1-6H2,(H2,18,25)(H,20,28)(H2,19,21,22)/t9-,12-,13-,16-/m1/s1
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n/an/an/a 5.21E+4n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27233
PNG
((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C22H35N9O6/c23-8-4-3-6-12(19(25)35)30-13(32)7-2-1-5-9-26-21(36)17-15(33)16(34)22(37-17)31-11-29-14-18(24)27-10-28-20(14)31/h10-12,15-17,22,33-34H,1-9,23H2,(H2,25,35)(H,26,36)(H,30,32)(H2,24,27,28)/t12-,15+,16-,17+,22-/m1/s1
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n/an/an/a 443n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27234
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H28N8O5/c19-5-7-21-10(27)4-2-1-3-6-22-17(30)14-12(28)13(29)18(31-14)26-9-25-11-15(20)23-8-24-16(11)26/h8-9,12-14,18,28-29H,1-7,19H2,(H,21,27)(H,22,30)(H2,20,23,24)/t12-,13+,14-,18+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.23E+3n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27235
PNG
(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-di...)
Show SMILES NCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H30N8O5/c20-6-4-8-22-11(28)5-2-1-3-7-23-18(31)15-13(29)14(30)19(32-15)27-10-26-12-16(21)24-9-25-17(12)27/h9-10,13-15,19,29-30H,1-8,20H2,(H,22,28)(H,23,31)(H2,21,24,25)/t13-,14+,15-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.05E+3n/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...


J Med Chem 52: 308-21 (2009)


Article DOI: 10.1021/jm800797n
BindingDB Entry DOI: 10.7270/Q2RX99FQ
More data for this
Ligand-Target Pair
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