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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50031263   
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))
BDBM50310131
PNG
((2-hydroxy-4-(3-isobutyl-5-methylhexylidene)-5-oxo...)
Show SMILES CC(C)CC(C\C=C1\CC(O)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C21H36O5/c1-14(2)10-16(11-15(3)4)8-9-17-12-21(24,26-18(17)22)13-25-19(23)20(5,6)7/h9,14-16,24H,8,10-13H2,1-7H3/b17-9-
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2.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310107
PNG
((E)-(2-(hydroxymethyl)-4-(8-(nonyloxy)octylidene)-...)
Show SMILES CCCCCCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-5-6-7-8-10-13-16-19-32-20-17-14-11-9-12-15-18-24-21-28(22-29,34-25(24)30)23-33-26(31)27(2,3)4/h18,29H,5-17,19-23H2,1-4H3/b24-18+
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3.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310104
PNG
((E)-(2-(hydroxymethyl)-4-(16-methoxyhexadecylidene...)
Show SMILES COCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-27(2,3)26(31)33-23-28(22-29)21-24(25(30)34-28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-32-4/h19,29H,5-18,20-23H2,1-4H3/b24-19+
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4.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310105
PNG
((Z)-(2-(hydroxymethyl)-4-(16-methoxyhexadecylidene...)
Show SMILES COCCCCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-27(2,3)26(31)33-23-28(22-29)21-24(25(30)34-28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-32-4/h19,29H,5-18,20-23H2,1-4H3/b24-19-
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5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310120
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(16-oxohexadecylide...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C27H46O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18-19,29H,4-17,20-22H2,1-3H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310115
PNG
((E)-(4-(16-hydroxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C27H48O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,28-29H,4-17,19-22H2,1-3H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310124
PNG
((E)-methyl 16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyl...)
Show SMILES COC(=O)CCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H48O7/c1-27(2,3)26(32)34-22-28(21-29)20-23(25(31)35-28)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24(30)33-4/h18,29H,5-17,19-22H2,1-4H3/b23-18+
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6.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310101
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-tetradecylidenetetr...)
Show SMILES CCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25(19-26,30-22(21)27)20-29-23(28)24(2,3)4/h17,26H,5-16,18-20H2,1-4H3/b21-17-
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7.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310112
PNG
((E)-(2-(hydroxymethyl)-4-(4-(nonyloxy)butylidene)-...)
Show SMILES CCCCCCCCCOCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-5-6-7-8-9-10-12-15-28-16-13-11-14-20-17-24(18-25,30-21(20)26)19-29-22(27)23(2,3)4/h14,25H,5-13,15-19H2,1-4H3/b20-14+
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7.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310110
PNG
((E)-(2-(hydroxymethyl)-4-(8-(isopentyloxy)octylide...)
Show SMILES CC(C)CCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-19(2)13-15-28-14-11-9-7-6-8-10-12-20-16-24(17-25,30-21(20)26)18-29-22(27)23(3,4)5/h12,19,25H,6-11,13-18H2,1-5H3/b20-12+
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7.70n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310100
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-tetradecylidenetetr...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25(19-26,30-22(21)27)20-29-23(28)24(2,3)4/h17,26H,5-16,18-20H2,1-4H3/b21-17+
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310125
PNG
((E)-(4-(16-(formyloxy)hexadecylidene)-2-(hydroxyme...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCOC=O)C(=O)O1
Show InChI InChI=1S/C28H48O7/c1-27(2,3)26(32)34-22-28(21-29)20-24(25(31)35-28)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-33-23-30/h18,23,29H,4-17,19-22H2,1-3H3/b24-18+
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8n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310106
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(8-(pentyloxy)octyl...)
Show SMILES CCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-5-6-12-15-28-16-13-10-8-7-9-11-14-20-17-24(18-25,30-21(20)26)19-29-22(27)23(2,3)4/h14,25H,5-13,15-19H2,1-4H3/b20-14+
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8.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310103
PNG
((E)-(2-(hydroxymethyl)-4-(12-methoxydodecylidene)-...)
Show SMILES COCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-23(2,3)22(27)29-19-24(18-25)17-20(21(26)30-24)15-13-11-9-7-5-6-8-10-12-14-16-28-4/h15,25H,5-14,16-19H2,1-4H3/b20-15+
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8.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310116
PNG
((Z)-(4-(16-hydroxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C27H48O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,28-29H,4-17,19-22H2,1-3H3/b23-18-
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8.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310130
PNG
((E)-(4-(16-acetamidohexadecylidene)-2-(hydroxymeth...)
Show SMILES CC(=O)NCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C29H51NO6/c1-24(32)30-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-21-29(22-31,36-26(25)33)23-35-27(34)28(2,3)4/h19,31H,5-18,20-23H2,1-4H3,(H,30,32)/b25-19+
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8.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310126
PNG
((E)-(4-(16-acetoxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C29H50O7/c1-24(31)34-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-21-29(22-30,36-26(25)32)23-35-27(33)28(2,3)4/h19,30H,5-18,20-23H2,1-4H3/b25-19+
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9.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310111
PNG
((E)-(4-(8-(cyclopentyloxy)octylidene)-2-(hydroxyme...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCOC2CCCC2)C(=O)O1
Show InChI InChI=1S/C24H40O6/c1-23(2,3)22(27)29-18-24(17-25)16-19(21(26)30-24)12-8-6-4-5-7-11-15-28-20-13-9-10-14-20/h12,20,25H,4-11,13-18H2,1-3H3/b19-12+
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10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310127
PNG
((E)-16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyloxymeth...)
Show SMILES CC(C)(C)C(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C32H56O7/c1-30(2,3)28(35)37-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-23-32(24-33,39-27(26)34)25-38-29(36)31(4,5)6/h21,33H,7-20,22-25H2,1-6H3/b26-21+
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11n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310121
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(16-oxohexadecylide...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C27H46O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18-19,29H,4-17,20-22H2,1-3H3/b23-18-
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11n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310114
PNG
((E)-(4-(12-hydroxydodecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C23H40O6/c1-22(2,3)21(27)28-18-23(17-25)16-19(20(26)29-23)14-12-10-8-6-4-5-7-9-11-13-15-24/h14,24-25H,4-13,15-18H2,1-3H3/b19-14+
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15n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310128
PNG
((E)-(4-(16-azidohexadecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCN=[N+]=[N-])C(=O)O1
Show InChI InChI=1S/C27H47N3O5/c1-26(2,3)25(33)34-22-27(21-31)20-23(24(32)35-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-29-30-28/h18,31H,4-17,19-22H2,1-3H3/b23-18+
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16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310119
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(12-oxododecylidene...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C23H38O6/c1-22(2,3)21(27)28-18-23(17-25)16-19(20(26)29-23)14-12-10-8-6-4-5-7-9-11-13-15-24/h14-15,25H,4-13,16-18H2,1-3H3/b19-14+
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30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310122
PNG
((E)-16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyloxymeth...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCC(O)=O)C(=O)O1
Show InChI InChI=1S/C27H46O7/c1-26(2,3)25(32)33-21-27(20-28)19-22(24(31)34-27)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23(29)30/h17,28H,4-16,18-21H2,1-3H3,(H,29,30)/b22-17+
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30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310129
PNG
((E)-(4-(16-aminohexadecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCN)C(=O)O1
Show InChI InChI=1S/C27H49NO5/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,29H,4-17,19-22,28H2,1-3H3/b23-18+
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36n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310118
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(8-oxooctylidene)te...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C19H30O6/c1-18(2,3)17(23)24-14-19(13-21)12-15(16(22)25-19)10-8-6-4-5-7-9-11-20/h10-11,21H,4-9,12-14H2,1-3H3/b15-10+
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39n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310117
PNG
((E)-(4-(8-hydroxyhexadecylidene)-2-(hydroxymethyl)...)
Show SMILES CCCCCCCCC(O)CCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C27H48O6/c1-5-6-7-8-11-14-17-23(29)18-15-12-9-10-13-16-22-19-27(20-28,33-24(22)30)21-32-25(31)26(2,3)4/h16,23,28-29H,5-15,17-21H2,1-4H3/b22-16+
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118n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310102
PNG
((E)-(2-(hydroxymethyl)-4-(8-methoxyoctylidene)-5-o...)
Show SMILES COCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C20H34O6/c1-19(2,3)18(23)25-15-20(14-21)13-16(17(22)26-20)11-9-7-5-6-8-10-12-24-4/h11,21H,5-10,12-15H2,1-4H3/b16-11+
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191n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310108
PNG
((E)-(2-(hydroxymethyl)-4-(8-(methoxymethoxy)octyli...)
Show SMILES COCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C21H36O7/c1-20(2,3)19(24)27-15-21(14-22)13-17(18(23)28-21)11-9-7-5-6-8-10-12-26-16-25-4/h11,22H,5-10,12-16H2,1-4H3/b17-11+
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198n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310109
PNG
((E)-(2-(hydroxymethyl)-4-(8-((2-methoxyethoxy)meth...)
Show SMILES COCCOCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C23H40O8/c1-22(2,3)21(26)30-17-23(16-24)15-19(20(25)31-23)11-9-7-5-6-8-10-12-28-18-29-14-13-27-4/h11,24H,5-10,12-18H2,1-4H3/b19-11+
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323n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310113
PNG
((E)-(2-(hydroxymethyl)-4-(8-hydroxyoctylidene)-5-o...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCO)C(=O)O1
Show InChI InChI=1S/C19H32O6/c1-18(2,3)17(23)24-14-19(13-21)12-15(16(22)25-19)10-8-6-4-5-7-9-11-20/h10,20-21H,4-9,11-14H2,1-3H3/b15-10+
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378n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310123
PNG
((E)-methyl 8-(5-(hydroxymethyl)-2-oxo-5-(pivaloylo...)
Show SMILES COC(=O)CCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C20H32O7/c1-19(2,3)18(24)26-14-20(13-21)12-15(17(23)27-20)10-8-6-5-7-9-11-16(22)25-4/h10,21H,5-9,11-14H2,1-4H3/b15-10+
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533n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair