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PubMed code 21435888

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Protein kinase C alpha type


(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 |r|
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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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit beta


(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 |r|
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 33n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342212
PNG
(1-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(4-p...)
Show SMILES CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31)
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n/an/a 95n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342213
PNG
(1-[1-(3-Diethylaminopropyl)-1H-indol-3-yl]-3-(6-ph...)
Show SMILES CCN(CC)CCCn1cc(NC(=O)Nc2cccc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H31N5O/c1-3-31(4-2)18-11-19-32-20-24(22-14-8-9-16-25(22)32)29-27(33)30-26-17-10-15-23(28-26)21-12-6-5-7-13-21/h5-10,12-17,20H,3-4,11,18-19H2,1-2H3,(H2,28,29,30,33)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342214
PNG
(1-[1-(3-Diethylaminopropyl)-1H-indol-3-yl]-3-(2-ph...)
Show SMILES CCN(CC)CCCn1cc(NC(=O)Nc2ccnc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H30N6O/c1-3-31(4-2)17-10-18-32-19-22(21-13-8-9-14-23(21)32)28-26(33)30-24-15-16-27-25(29-24)20-11-6-5-7-12-20/h5-9,11-16,19H,3-4,10,17-18H2,1-2H3,(H2,27,28,29,30,33)
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n/an/a 4.81E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50342215
PNG
(1-[1-(3-Diethylaminopropyl)-1H-indol-3-yl]-3-(6-ph...)
Show SMILES CCN(CC)CCCn1cc(NC(=O)Nc2cncc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H30N6O/c1-3-31(4-2)15-10-16-32-19-23(21-13-8-9-14-24(21)32)29-26(33)30-25-18-27-17-22(28-25)20-11-6-5-7-12-20/h5-9,11-14,17-19H,3-4,10,15-16H2,1-2H3,(H2,28,29,30,33)
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PubMed
n/an/a 8.07E+3n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using kemptide as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit beta


(Homo sapiens (Human))
BDBM50342212
PNG
(1-[1-(3-Dimethylaminopropyl)-1H-indol-3-yl]-3-(4-p...)
Show SMILES CN(C)CCCn1cc(NC(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H26N6O/c1-29(2)15-8-16-30-17-21(19-11-6-7-12-22(19)30)27-24(31)28-23-25-14-13-20(26-23)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,25,26,27,28,31)
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n/an/a 2.36E+4n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of PKA activity using neurogranin as a substrate in presence of 50 uM ATP by mass spectrometry


Bioorg Med Chem 19: 2742-50 (2011)


Article DOI: 10.1016/j.bmc.2011.02.036
BindingDB Entry DOI: 10.7270/Q2G44R8J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%