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Compile Data Set for Download or QSAR

Found 1113 hits Enz. Inhib. hit(s) with Target = 'cAMP-Dependent Protein Kinase (PKA)'   
Target
(Institution)
LigandTarget
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)


(Homo sapiens-Homo sapiens (human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKA


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens-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 0.900n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKA


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117489
PNG
(CHEMBL3613598)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16958
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-eth...)
Show SMILES N[C@H](COc1cnc(C#C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C27H22N4O/c1-2-26-25(19-7-8-20-14-29-10-9-18(20)11-19)13-23(16-31-26)32-17-22(28)12-21-15-30-27-6-4-3-5-24(21)27/h1,3-11,13-16,22,30H,12,17,28H2/t22-/m0/s1
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n/an/a 1n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase alpha-catalytic subunit


(Homo sapiens (human))
BDBM50329427
PNG
(5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-c...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)
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n/an/a>1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117503
PNG
(CHEMBL3613621)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
Show InChI InChI=1S/C23H27FN6O3/c1-29(2)13-23(22(32)28-16-6-4-5-15(11-16)21(31)33-3)7-9-30(10-8-23)20-18-17(24)12-25-19(18)26-14-27-20/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117631
PNG
(CHEMBL3613610)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)14-23(22(31)27-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)20-18-7-10-24-19(18)25-15-26-20/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,31)(H,24,25,26)
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n/an/a 1.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/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...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117632
PNG
(CHEMBL3613609)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29)
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n/an/a 2.20n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27250
PNG
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C53H97N31O9/c54-39-38-41(76-26-75-39)84(27-77-38)35-24-28(25-36(35)85)42(88)68-17-3-1-2-16-37(86)78-30(11-5-19-70-49(58)59)43(89)80-32(13-7-21-72-51(62)63)45(91)82-34(15-9-23-74-53(66)67)47(93)83-33(14-8-22-73-52(64)65)46(92)81-31(12-6-20-71-50(60)61)44(90)79-29(40(55)87)10-4-18-69-48(56)57/h26-36,85H,1-25H2,(H2,55,87)(H,68,88)(H,78,86)(H,79,90)(H,80,89)(H,81,92)(H,82,91)(H,83,93)(H2,54,75,76)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t28-,29+,30+,31+,32+,33+,34+,35+,36+/m0/s1
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n/an/a 2.41n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117370
PNG
(CHEMBL3613599)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28)
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n/an/a 2.60n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 2.70n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

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...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117629
PNG
(CHEMBL3613612)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)15-23(22(31)26-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)19-7-10-24-20-18(19)14-25-27-20/h4-7,10,13-14H,8-9,11-12,15H2,1-3H3,(H,26,31)(H,24,25,27)
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n/an/a 3.80n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Homo sapiens (human))
BDBM50311410
PNG
(CHEMBL1077376 | N-((5S,8R,11R,14R,17R,20R,23R,33R)...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)C(N)=O
Show InChI InChI=1S/C69H126N34O11S/c70-30-7-5-17-42(54(72)106)97-57(109)45(20-12-35-89-64(75)76)99-59(111)47(22-14-37-91-66(79)80)101-61(113)49(24-16-39-93-68(83)84)102-60(112)48(23-15-38-92-67(81)82)100-58(110)46(21-13-36-90-65(77)78)98-56(108)44(19-11-34-88-63(73)74)96-53(105)26-3-1-9-32-86-55(107)43(18-6-8-31-71)95-52(104)25-4-2-10-33-87-62(114)51-28-27-50(115-51)41-29-40-94-69(85)103-41/h27-29,40,42-49H,1-26,30-39,70-71H2,(H2,72,106)(H,86,107)(H,87,114)(H,95,104)(H,96,105)(H,97,109)(H,98,108)(H,99,111)(H,100,110)(H,101,113)(H,102,112)(H4,73,74,88)(H4,75,76,89)(H4,77,78,90)(H4,79,80,91)(H4,81,82,92)(H4,83,84,93)(H2,85,94,103)/t42-,43+,44+,45+,46+,47+,48+,49+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presence of 1000 uM ATP


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16954
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-chl...)
Show SMILES N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H21ClN4O/c26-25-23(17-5-6-18-12-28-8-7-16(18)9-17)11-21(14-30-25)31-15-20(27)10-19-13-29-24-4-2-1-3-22(19)24/h1-9,11-14,20,29H,10,15,27H2/t20-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16564
PNG
((2S)-1-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H21F3N4O/c1-14-21-10-16(5-6-22(21)30-29-14)17-9-20(12-28-11-17)31-13-19(27)8-15-3-2-4-18(7-15)23(24,25)26/h2-7,9-12,19H,8,13,27H2,1H3,(H,29,30)/t19-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117630
PNG
(CHEMBL3613611)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1
Show InChI InChI=1S/C22H27N7O3/c1-28(2)13-22(21(31)26-16-6-4-5-15(11-16)20(30)32-3)7-9-29(10-8-22)19-17-12-25-27-18(17)23-14-24-19/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,31)(H,23,24,25,27)
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n/an/a 5.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Homo sapiens (human))
BDBM50199310
PNG
(2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18...)
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(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C69H116N34O14S/c70-54-50-55(93-37-92-54)103(38-94-50)63-52(107)51(106)53(117-63)62(114)85-26-6-2-4-22-48(104)96-41(15-8-27-86-64(71)72)56(108)97-42(16-9-28-87-65(73)74)57(109)98-43(17-10-29-88-66(75)76)58(110)99-44(18-11-30-89-67(77)78)59(111)100-45(19-12-31-90-68(79)80)60(112)101-46(20-13-32-91-69(81)82)61(113)102-49(105)23-3-1-5-25-83-34-35-95-118(115,116)47-21-7-14-39-36-84-33-24-40(39)47/h7,14,21,24,33,36-38,41-46,51-53,63,83,95,106-107H,1-6,8-13,15-20,22-23,25-32,34-35H2,(H,85,114)(H,96,104)(H,97,108)(H,98,109)(H,99,110)(H,100,111)(H,101,112)(H2,70,92,93)(H4,71,72,86)(H4,73,74,87)(H4,75,76,88)(H4,77,78,89)(H4,79,80,90)(H4,81,82,91)(H,102,105,113)/t41-,42-,43-,44-,45-,46-,51+,52-,53+,63-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL


Assay Description
Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27249
PNG
(ARC-903 | N-[(1R)-4-carbamimidamido-1-{[(1R)-4-car...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O
Show InChI InChI=1S/C53H96N28O9S/c54-42(83)34(12-5-22-69-48(55)56)77-44(85)36(14-7-24-71-50(59)60)79-46(87)38(16-9-26-73-52(63)64)81-47(88)39(17-10-27-74-53(65)66)80-45(86)37(15-8-25-72-51(61)62)78-43(84)35(13-6-23-70-49(57)58)76-41(82)19-2-1-3-21-67-29-30-75-91(89,90)40-18-4-11-32-31-68-28-20-33(32)40/h4,11,18,20,28,31,34-39,67,75H,1-3,5-10,12-17,19,21-27,29-30H2,(H2,54,83)(H,76,82)(H,77,85)(H,78,84)(H,79,87)(H,80,86)(H,81,88)(H4,55,56,69)(H4,57,58,70)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)/t34-,35-,36-,37-,38-,39-/m1/s1
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n/an/a 5.30n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Homo sapiens (human))
BDBM50199310
PNG
(2S,3S,4R,5R)-5-6-amino-9H-purin-9-yl)-N-12R,15R,18...)
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(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C69H116N34O14S/c70-54-50-55(93-37-92-54)103(38-94-50)63-52(107)51(106)53(117-63)62(114)85-26-6-2-4-22-48(104)96-41(15-8-27-86-64(71)72)56(108)97-42(16-9-28-87-65(73)74)57(109)98-43(17-10-29-88-66(75)76)58(110)99-44(18-11-30-89-67(77)78)59(111)100-45(19-12-31-90-68(79)80)60(112)101-46(20-13-32-91-69(81)82)61(113)102-49(105)23-3-1-5-25-83-34-35-95-118(115,116)47-21-7-14-39-36-84-33-24-40(39)47/h7,14,21,24,33,36-38,41-46,51-53,63,83,95,106-107H,1-6,8-13,15-20,22-23,25-32,34-35H2,(H,85,114)(H,96,104)(H,97,108)(H,98,109)(H,99,110)(H,100,111)(H,101,112)(H2,70,92,93)(H4,71,72,86)(H4,73,74,87)(H4,75,76,88)(H4,77,78,89)(H4,79,80,90)(H4,81,82,91)(H,102,105,113)/t41-,42-,43-,44-,45-,46-,51+,52-,53+,63-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL


Assay Description
Inhibitory potency towards human cAPK C alpha in the presence of 100uM ATP and 30uM TAMRA-kemptide


Citation and Details
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/a 5.32n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 5.40n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Homo sapiens (human))
BDBM50311409
PNG
(CHEMBL1077375 | N-((6R,9R,12R,15R,18R,21R,31R)-1-a...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)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/C63H114N32O10S/c64-27-6-5-15-39(88-47(96)22-4-2-8-29-80-56(105)46-25-24-45(106-46)37-26-36-87-63(78)95-37)50(99)79-28-7-1-3-23-48(97)89-40(17-10-31-82-58(68)69)51(100)91-42(19-12-33-84-60(72)73)53(102)93-44(21-14-35-86-62(76)77)55(104)94-43(20-13-34-85-61(74)75)54(103)92-41(18-11-32-83-59(70)71)52(101)90-38(49(65)98)16-9-30-81-57(66)67/h24-26,36,38-44H,1-23,27-35,64H2,(H2,65,98)(H,79,99)(H,80,105)(H,88,96)(H,89,97)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H,94,104)(H4,66,67,81)(H4,68,69,82)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H2,78,87,95)/t38-,39-,40-,41-,42-,43-,44-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presence of 1000 uM ATP


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117635
PNG
(CHEMBL3613606)
Show SMILES CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H34N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h6-8,14-15,17H,5,9-13,16H2,1-4H3,(H,30,34)(H,27,28,29)
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n/an/a 5.80n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/a 6n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16784
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(Cl)c2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20ClN5O/c24-23-20-9-14(5-6-22(20)28-29-23)15-8-18(12-26-10-15)30-13-17(25)7-16-11-27-21-4-2-1-3-19(16)21/h1-6,8-12,17,27H,7,13,25H2,(H,28,29)/t17-/m0/s1
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n/an/a 6.80n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117300
PNG
(CHEMBL3613604)
Show SMILES COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-17-14-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-19-7-5-6-18(12-19)13-20(32)34-4/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16588
PNG
((2S)-1-(2,3-difluorophenyl)-3-{[5-(3-methyl-1H-pyr...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1
Show InChI InChI=1S/C21H19F2N5O/c1-12-17-7-19(26-10-20(17)28-27-12)14-6-16(9-25-8-14)29-11-15(24)5-13-3-2-4-18(22)21(13)23/h2-4,6-10,15H,5,11,24H2,1H3,(H,27,28)/t15-/m0/s1
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n/an/a 7n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16978
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnc(N)cc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C25H23N5O/c26-21(8-20-13-29-24-4-2-1-3-23(20)24)15-31-22-9-19(11-28-14-22)16-5-6-17-12-30-25(27)10-18(17)7-16/h1-7,9-14,21,29H,8,15,26H2,(H2,27,30)/t21-/m0/s1
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n/an/a 8n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Mus musculus (mouse))
BDBM27248
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)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)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/C52H95N31O11/c53-37-33-39(75-24-74-37)83(25-76-33)46-35(86)34(85)36(94-46)45(93)67-17-3-1-2-16-32(84)77-27(11-5-19-69-48(57)58)40(88)79-29(13-7-21-71-50(61)62)42(90)81-31(15-9-23-73-52(65)66)44(92)82-30(14-8-22-72-51(63)64)43(91)80-28(12-6-20-70-49(59)60)41(89)78-26(38(54)87)10-4-18-68-47(55)56/h24-31,34-36,46,85-86H,1-23H2,(H2,54,87)(H,67,93)(H,77,84)(H,78,89)(H,79,88)(H,80,91)(H,81,90)(H,82,92)(H2,53,74,75)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t26-,27-,28-,29-,30-,31-,34+,35-,36+,46-/m1/s1
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n/an/a 8.30n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16537
PNG
((2S)-1-(2,3-difluorophenyl)-3-{[5-(3-methyl-1H-ind...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1
Show InChI InChI=1S/C22H20F2N4O/c1-13-19-9-14(5-6-21(19)28-27-13)16-8-18(11-26-10-16)29-12-17(25)7-15-3-2-4-20(23)22(15)24/h2-6,8-11,17H,7,12,25H2,1H3,(H,27,28)/t17-/m0/s1
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n/an/a 9n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Homo sapiens (human))
BDBM50219803
PNG
(6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@@H]1C[C@@H](O)[C@@H](C1)n1cnc2c(N)ncnc12)C(N)=O
Show InChI InChI=1S/C53H97N31O9/c54-39-38-41(76-26-75-39)84(27-77-38)35-24-28(25-36(35)85)42(88)68-17-3-1-2-16-37(86)78-30(11-5-19-70-49(58)59)43(89)80-32(13-7-21-72-51(62)63)45(91)82-34(15-9-23-74-53(66)67)47(93)83-33(14-8-22-73-52(64)65)46(92)81-31(12-6-20-71-50(60)61)44(90)79-29(40(55)87)10-4-18-69-48(56)57/h26-36,85H,1-25H2,(H2,55,87)(H,68,88)(H,78,86)(H,79,90)(H,80,89)(H,81,92)(H,82,91)(H,83,93)(H2,54,75,76)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)/t28-,29-,30-,31-,32-,33-,34-,35+,36+/m0/s1
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n/an/a 12.9n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of cAPK Calpha in presence of 0.1 mM ATP


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16587
PNG
((2S)-1-{[5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-y...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N5O/c1-13-19-8-20(28-11-21(19)30-29-13)15-7-18(10-27-9-15)31-12-17(26)6-14-3-2-4-16(5-14)22(23,24)25/h2-5,7-11,17H,6,12,26H2,1H3,(H,29,30)/t17-/m0/s1
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n/an/a 13n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
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/a 13.4n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (human))
BDBM50311405
PNG
(CHEMBL1077369 | N-((6R,9R,19R)-1-amino-19-(4-amino...)
Show SMILES NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1ccc(s1)-c1ccnc(N)n1)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/C39H66N16O6S/c40-19-6-5-11-27(52-31(56)14-4-2-8-21-48-36(61)30-17-16-29(62-30)25-18-24-51-39(46)55-25)34(59)47-20-7-1-3-15-32(57)53-28(13-10-23-50-38(44)45)35(60)54-26(33(41)58)12-9-22-49-37(42)43/h16-18,24,26-28H,1-15,19-23,40H2,(H2,41,58)(H,47,59)(H,48,61)(H,52,56)(H,53,57)(H,54,60)(H4,42,43,49)(H4,44,45,50)(H2,46,51,55)/t26-,27-,28-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Inhibition of PKACalpha in presense of 100 uM ATP


Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 15n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)

More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16547
PNG
((2S)-1-(4-bromophenyl)-3-{[5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)cc2)c1
Show InChI InChI=1S/C22H21BrN4O/c1-14-21-10-16(4-7-22(21)27-26-14)17-9-20(12-25-11-17)28-13-19(24)8-15-2-5-18(23)6-3-15/h2-7,9-12,19H,8,13,24H2,1H3,(H,26,27)/t19-/m0/s1
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n/an/a 15n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16586
PNG
((2S)-1-{[5-(3-chloro-1H-pyrazolo[3,4-c]pyridin-5-y...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17ClF3N5O/c22-20-17-7-18(28-10-19(17)29-30-20)13-6-16(9-27-8-13)31-11-15(26)5-12-2-1-3-14(4-12)21(23,24)25/h1-4,6-10,15H,5,11,26H2,(H,29,30)/t15-/m0/s1
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n/an/a 15n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16532
PNG
((2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-pyrazolo...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C23H22N6O/c1-14-20-8-22(27-12-23(20)29-28-14)16-7-18(11-25-9-16)30-13-17(24)6-15-10-26-21-5-3-2-4-19(15)21/h2-5,7-12,17,26H,6,13,24H2,1H3,(H,28,29)/t17-/m0/s1
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n/an/a 15n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16231
PNG
(2-(4-chlorophenyl)-N-methyl-2-[4-(9H-purin-6-yl)ph...)
Show SMILES CNCC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C20H18ClN5/c1-22-10-17(14-6-8-16(21)9-7-14)13-2-4-15(5-3-13)18-19-20(25-11-23-18)26-12-24-19/h2-9,11-12,17,22H,10H2,1H3,(H,23,24,25,26)
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n/an/a 15n/an/an/an/a7.222



Astex



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


Citation and Details
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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n/an/a 16n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16785
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(c2c1)C(F)(F)F)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C24H20F3N5O/c25-24(26,27)23-20-9-14(5-6-22(20)31-32-23)15-8-18(12-29-10-15)33-13-17(28)7-16-11-30-21-4-2-1-3-19(16)21/h1-6,8-12,17,30H,7,13,28H2,(H,31,32)/t17-/m0/s1
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n/an/a 16n/an/an/an/a7.522



Abbott Laboratories



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


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Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16783
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,26H,8,14,24H2,(H,27,28)/t19-/m0/s1
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n/an/a 18n/an/an/an/a7.522



Abbott Laboratories



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


Citation and Details
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM3153
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C27H23NO10/c29-15-9-7-13(8-10-15)25(34)28-17-4-2-6-21(17)38-27(37)14-11-19(31)23(20(32)12-14)24(33)22-16(26(35)36)3-1-5-18(22)30/h1,3,5,7-12,17,21,29-32H,2,4,6H2,(H,28,34)(H,35,36)/t17-,21-/m1/s1
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n/an/a 20n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


Citation and Details
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/a 21.1n/an/an/an/a7.530



Institute of Chemistry in Estonia



Assay Description
The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...


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More data for this
Ligand-Target Pair
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