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Compile Data Set for Download or QSAR

Found 10 hits of ph data with Target = 'Cyclic AMP-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
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36603
PNG
(4'',6''-Dideoxybalanol, 6)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O8/c31-19-12-10-17(11-13-19)26(34)30-21-15-29-14-2-5-23(21)38-28(37)18-8-6-16(7-9-18)25(33)24-20(27(35)36)3-1-4-22(24)32/h1,3-4,6-13,21,23,29,31-32H,2,5,14-15H2,(H,30,34)(H,35,36)/t21-,23-/m1/s1
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PubMed
3.40 -49.1 5.5n/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36604
PNG
(5'-Deoxybalanol, 7)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1
Show InChI InChI=1S/C28H26N2O9/c31-19-9-4-8-17(27(36)37)23(19)25(34)24-20(32)12-16(13-21(24)33)28(38)39-22-10-5-11-29-14-18(22)30-26(35)15-6-2-1-3-7-15/h1-4,6-9,12-13,18,22,29,31-33H,5,10-11,14H2,(H,30,35)(H,36,37)/t18-,22-/m1/s1
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PubMed
3.5 -49.1 5.70n/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM3207
PNG
(10''-Deoxybalanol, 4 | 2-{[2,6-dihydroxy-4-({[(3R,...)
Show SMILES OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O9/c31-17-9-7-15(8-10-17)26(35)30-20-14-29-11-3-6-23(20)39-28(38)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-19(18)27(36)37/h1-2,4-5,7-10,12-13,20,23,29,31-33H,3,6,11,14H2,(H,30,35)(H,36,37)/t20-,23-/m1/s1
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PubMed
3.90 -48.8 6.30n/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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Article
PubMed
4.70 -48.3n/an/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36602
PNG
(14''-Decarboxybalanol hydrochloride, 5)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1
Show InChI InChI=1S/C27H26N2O8/c30-17-9-7-15(8-10-17)26(35)29-19-14-28-11-3-6-23(19)37-27(36)16-12-21(32)24(22(33)13-16)25(34)18-4-1-2-5-20(18)31/h1-2,4-5,7-10,12-13,19,23,28,30-33H,3,6,11,14H2,(H,29,35)/p+1/t19-,23-/m1/s1
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PubMed
11 -46.2 18n/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
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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PubMed
35n/an/an/an/an/an/a7.5n/a



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36606
PNG
(H-89, 10)
Show SMILES Brc1ccc(\C=C\CNCCNOS(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-26-27(25)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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48n/an/an/an/an/an/a7.5n/a



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36605
PNG
(KT5720, 9)
Show SMILES CCCCCCOC(=O)[C@@]1(O)CC2O[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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PubMed
56n/an/an/an/an/an/a7.5n/a



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36600
PNG
(Benzophenone fragment, 2)
Show SMILES COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C16H12O8/c1-24-16(23)7-5-10(18)13(11(19)6-7)14(20)12-8(15(21)22)3-2-4-9(12)17/h2-6,17-19H,1H3,(H,21,22)
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PubMed
>1.00E+4>-29.0n/an/an/an/an/a7.530



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM36601
PNG
(Hexahydroazepine, 3)
Show SMILES O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H18N2O3/c16-10-5-3-9(4-6-10)13(18)15-11-8-14-7-1-2-12(11)17/h3-6,11-12,14,16-17H,1-2,7-8H2,(H,15,18)/t11-,12-/m1/s1
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>1.00E+4n/an/an/an/an/an/a7.5n/a



University of California, San Diego



Assay Description
Cyclic AMP-dependent protein kinase (PKA) enzyme inhibition assay using purified recombinant C subunit of PKA (catalytic (C) subunit (cPKA)) with hol...


Chem Biol 2: 601-8 (1995)


Article DOI: 10.1124/jpet.103.062794
BindingDB Entry DOI: 10.7270/Q2HQ3X8D
More data for this
Ligand-Target Pair