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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'PKA' AND taxid = 10116   
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
PKA


(RAT)
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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50n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




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


(RAT)
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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1.60E+3n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




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


(RAT)
BDBM86727
PNG
(1-(5-isoquinolinesulfonyl)-2-methylpiperazine.2HCl...)
Show SMILES CC1CN(CCN1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-10-17(8-7-16-11)20(18,19)14-4-2-3-12-9-15-6-5-13(12)14/h2-6,9,11,16H,7-8,10H2,1H3
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3.00E+3n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
PKA


(RAT)
BDBM86729
PNG
((R)-(+)-trans-4-(1-aminoethyl)-N-(4-pyridyl)cycloh...)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




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


(Rattus norvegicus (rat))
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 27n/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase PKA(Protein kinase A) catalytic subunit at 100 uM


J Med Chem 34: 2928-31 (1991)

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


(Rattus norvegicus (rat))
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase PKA(Protein kinase A) catalytic subunit at 100 uM


J Med Chem 34: 2928-31 (1991)

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


(Rattus norvegicus (rat))
BDBM2684
PNG
(3-[3-(dimethylamino)propyl]-3,13,23-triazahexacycl...)
Show SMILES CN(C)CCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C25H22N4O2/c1-28(2)12-7-13-29-17-11-6-4-9-15(17)19-21-20(24(30)27-25(21)31)18-14-8-3-5-10-16(14)26-22(18)23(19)29/h3-6,8-11,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 500n/an/an/an/a7.030



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)

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


(Rattus norvegicus (rat))
BDBM2691
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
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n/an/a 500n/an/an/an/a7.030



Laboratoires Glaxo



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)


(Rattus norvegicus (rat))
BDBM2685
PNG
(3-(1H-indol-3-yl)-4-{1-[2-(piperidin-2-yl)ethyl]-1...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCC2CCCCN2)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33)
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n/an/a 1.20E+3n/an/an/an/a7.030



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)

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


(Rattus norvegicus (rat))
BDBM2687
PNG
(Bisindolyl deriv. 13 | methyl 3-{3-[4-(1H-indol-3-...)
Show SMILES COC(=O)CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H19N3O4/c1-31-20(28)10-11-27-13-17(15-7-3-5-9-19(15)27)22-21(23(29)26-24(22)30)16-12-25-18-8-4-2-6-14(16)18/h2-9,12-13,25H,10-11H2,1H3,(H,26,29,30)
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n/an/a 1.50E+3n/an/an/an/a7.030



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)

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


(Rattus norvegicus (rat))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 2.00E+3n/an/an/an/a7.030



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)

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...


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


(Rattus norvegicus (rat))
BDBM2694
PNG
(3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl...)
Show SMILES CN1CCCC1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)
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n/an/a 2.00E+3n/an/an/an/a7.030



Laboratoires Glaxo



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)


(Rattus norvegicus (rat))
BDBM2692
PNG
(3-(1H-indol-3-yl)-4-{1-[(1-methylpiperidin-3-yl)me...)
Show SMILES CN1CCCC(Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)C1
Show InChI InChI=1S/C27H26N4O2/c1-30-12-6-7-17(14-30)15-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-13-28-22-10-4-2-8-18(20)22/h2-5,8-11,13,16-17,28H,6-7,12,14-15H2,1H3,(H,29,32,33)
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n/an/a 2.50E+3n/an/an/an/a7.030



Laboratoires Glaxo



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)


(Rattus norvegicus (rat))
BDBM2693
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(morpholin-4-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C27H26N4O3/c32-26-24(20-16-28-22-8-3-1-6-18(20)22)25(27(33)29-26)21-17-31(23-9-4-2-7-19(21)23)11-5-10-30-12-14-34-15-13-30/h1-4,6-9,16-17,28H,5,10-15H2,(H,29,32,33)
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n/an/a 3.00E+3n/an/an/an/a7.030



Laboratoires Glaxo



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)


(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...


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


(Rattus norvegicus (rat))
BDBM2686
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12
Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34)
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n/an/a 4.40E+3n/an/an/an/a7.030



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)

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


(Rattus norvegicus (rat))
BDBM2688
PNG
(3-(1H-indol-3-yl)-4-[1-(2-methoxyethyl)-1H-indol-3...)
Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H19N3O3/c1-29-11-10-26-13-17(15-7-3-5-9-19(15)26)21-20(22(27)25-23(21)28)16-12-24-18-8-4-2-6-14(16)18/h2-9,12-13,24H,10-11H2,1H3,(H,25,27,28)
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n/an/a 4.50E+3n/an/an/an/a7.030



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)

More data for this
Ligand-Target Pair
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...


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


(Rattus norvegicus (rat))
BDBM2690
PNG
(3-(1-{2-[(dimethylamino)methyl]propyl}-1H-indol-3-...)
Show SMILES CC(CN(C)C)Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N4O2/c1-16(13-29(2)3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32)
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PubMed
n/an/a 6.60E+3n/an/an/an/a7.030



Laboratoires Glaxo



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)


(Rattus norvegicus (rat))
BDBM2689
PNG
(3-[1-(3-dymethylaminopropyl)-indol-3-yl]-4-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(CNC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H26N4O/c1-28(2)12-7-13-29-16-21(18-9-4-6-11-23(18)29)24-20(15-27-25(24)30)19-14-26-22-10-5-3-8-17(19)22/h3-6,8-11,14,16,26H,7,12-13,15H2,1-2H3,(H,27,30)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.030



Laboratoires Glaxo



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