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Compile Data Set for Download or QSAR

Found 15 hits of Enz. Inhib. data with enzyme = 'cAMP-dependent protein kinase (PKA)' and Substrate = 'Kemptide'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
PubMed
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))
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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Article
PubMed
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)


(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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Article
PubMed
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))
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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Article
PubMed
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))
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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PubMed
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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PubMed
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))
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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PubMed
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))
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))
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))
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))
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))
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))
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))
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)


(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