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Compile Data Set for Download or QSAR

Found 1710 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C alpha type'   
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))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/an/an/a 1.56E+6n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay


Bioorg Med Chem 19: 5321-33 (2011)


Article DOI: 10.1016/j.bmc.2011.08.008
BindingDB Entry DOI: 10.7270/Q25H7GN9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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n/an/an/an/a 1.70E+6n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay


Bioorg Med Chem 19: 5321-33 (2011)


Article DOI: 10.1016/j.bmc.2011.08.008
BindingDB Entry DOI: 10.7270/Q25H7GN9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50351474
PNG
(CHEMBL1819531)
Show SMILES Oc1cc(\C=C\c2cc(O)c(O)c(O)c2)cc(O)c1O
Show InChI InChI=1S/C14H12O6/c15-9-3-7(4-10(16)13(9)19)1-2-8-5-11(17)14(20)12(18)6-8/h1-6,15-20H/b2-1+
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n/an/an/an/a 2.98E+6n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay


Bioorg Med Chem 19: 5321-33 (2011)


Article DOI: 10.1016/j.bmc.2011.08.008
BindingDB Entry DOI: 10.7270/Q25H7GN9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50351475
PNG
(CHEMBL1819528)
Show SMILES CCCCCCCCCCCCCCCCOc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C30H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-33-30-20-18-26(19-21-30)16-17-27-23-28(31)25-29(32)24-27/h16-21,23-25,31-32H,2-15,22H2,1H3/b17-16+
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n/an/an/an/a 5.04E+6n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay


Bioorg Med Chem 19: 5321-33 (2011)


Article DOI: 10.1016/j.bmc.2011.08.008
BindingDB Entry DOI: 10.7270/Q25H7GN9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/an/an/a 5.78E+6n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to recombinant C1 domain of PKCalpha expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence quenching assay


Bioorg Med Chem 19: 5321-33 (2011)


Article DOI: 10.1016/j.bmc.2011.08.008
BindingDB Entry DOI: 10.7270/Q25H7GN9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBU from protein kinase C-alpha


Bioorg Med Chem Lett 3: 577-580 (1993)


Article DOI: 10.1016/S0960-894X(01)81232-4
BindingDB Entry DOI: 10.7270/Q2TT4QVR
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM86434
PNG
(12-Deoxyphorbol 13-phenylacetate | CAS_105100 | NS...)
Show SMILES CC1CC2(OC(=O)Cc3ccccc3)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C
Show InChI InChI=1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3
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0.140n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


Article DOI: 10.1021/jm9904607
BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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0.220n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50391386
PNG
(CHEMBL2148106)
Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCalpha C1A domain


J Med Chem 55: 5614-26 (2012)


Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM86431
PNG
(CAS_4179 | Mezerein | NSC_4179)
Show SMILES CC1C(OC(=O)C=CC=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C
Show InChI InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3
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0.270n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM86429
PNG
(CAS_6437389 | NSC_6437389 | Thymeleatoxin | Thymel...)
Show SMILES CC1C(OC(=O)C=Cc2ccccc2)C2(OC3(OC2C2C4OC4(CO)C(O)C4(O)C(C=C(C)C4=O)C12O3)c1ccccc1)C(C)=C
Show InChI InChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3
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0.290n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50327943
PNG
(Aplysiatoxin | CHEMBL1256416)
Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br
Show InChI InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKC alpha C1A peptide


Bioorg Med Chem Lett 20: 6064-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.051
BindingDB Entry DOI: 10.7270/Q2FJ2H04
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50258529
PNG
(CHEMBL449158 | bryostatin 1)
Show SMILES CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC
Show InChI InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of [20-3H]phorbol 12,13-dibutyrate binding to human PKCalpha by scintillation counting based poly(ethylene) glycol precipitation assay


J Nat Prod 78: 896-900 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00094
BindingDB Entry DOI: 10.7270/Q2ZK5JD2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50057514
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-5...)
Show SMILES CCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)/t20-,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC alpha expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM86432
PNG
((-)-Octylindolactam V | CAS_159320 | NSC_159320)
Show SMILES CCCCCCCCc1ccc2N(C)C(C(C)C)C(=O)NC(CO)Cc3c[nH]c1c23
Show InChI InChI=1S/C25H39N3O2/c1-5-6-7-8-9-10-11-18-12-13-21-22-19(15-26-23(18)22)14-20(16-29)27-25(30)24(17(2)3)28(21)4/h12-13,15,17,20,24,26,29H,5-11,14,16H2,1-4H3,(H,27,30)
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0.530n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50281601
PNG
(13-butylcarbonyloxy-1,6-dihydroxy-8-hydroxymethyl-...)
Show SMILES CCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCC
Show InChI InChI=1S/C30H44O8/c1-7-9-11-22(32)37-26-18(4)29(36)20(24-27(5,6)30(24,26)38-23(33)12-10-8-2)14-19(16-31)15-28(35)21(29)13-17(3)25(28)34/h13-14,18,20-21,24,26,31,35-36H,7-12,15-16H2,1-6H3/t18-,20+,21-,24?,26-,28-,29-,30-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBU from protein kinase C-alpha


Bioorg Med Chem Lett 3: 577-580 (1993)


Article DOI: 10.1016/S0960-894X(01)81232-4
BindingDB Entry DOI: 10.7270/Q2TT4QVR
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50041389
PNG
(Butyric acid (1aR,4aR,7aS,7bS,8R,9R,9aS)-9-butyryl...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=CC2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18?,19-,22-,24-,26-,27-,28-/m1/s1
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0.780n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity (Ki) towards Protein kinase C


J Med Chem 37: 1326-38 (1994)


Article DOI: 10.1021/jm00035a013
BindingDB Entry DOI: 10.7270/Q2J67G03
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C alpha with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50091249
PNG
(CHEMBL108303 | Nonanoic acid 2-hydroxy-1-(4-nonyli...)
Show SMILES CCCCCCCC\C=C1/CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC
Show InChI InChI=1S/C24H42O5/c1-3-5-7-9-11-12-14-16-20-18-21(29-24(20)27)22(19-25)28-23(26)17-15-13-10-8-6-4-2/h16,21-22,25H,3-15,17-19H2,1-2H3/b20-16+/t21?,22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase C alpha


J Med Chem 43: 3209-17 (2000)


Article DOI: 10.1021/jm990613q
BindingDB Entry DOI: 10.7270/Q2WH2P71
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50184391
PNG
((R,Z)-2-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylh...)
Show SMILES CC(C)CC(C\C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-/t22-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C alpha C1a domain


Bioorg Med Chem Lett 11: 719-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00045-2
BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50292348
PNG
(CHEMBL501262 | bryostatin 10)
Show SMILES COC(=O)\C=C1\C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@H](C[C@@H]3C\C(C[C@@](O)(O3)C(C)(C)\C=C\[C@@H](C1)O2)=C/C(=O)OC)[C@@H](C)O
Show InChI InChI=1S/C42H64O15/c1-24(43)32-20-29-15-26(17-35(46)52-10)22-41(49,56-29)39(5,6)12-11-28-13-25(16-34(45)51-9)14-31(53-28)23-42(50)40(7,8)33(55-37(48)38(2,3)4)21-30(57-42)18-27(44)19-36(47)54-32/h11-12,16-17,24,27-33,43-44,49-50H,13-15,18-23H2,1-10H3/b12-11+,25-16+,26-17+/t24-,27-,28+,29+,30-,31+,32-,33+,41-,42+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form PKCalpha


J Nat Prod 59: 286-9 (1997)


Article DOI: 10.1021/np960100b
BindingDB Entry DOI: 10.7270/Q2FQ9WNK
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50091254
PNG
(CHEMBL109630 | Nonanoic acid (S)-2-hydroxy-1-(4-no...)
Show SMILES CCCCCCCC\C=C1\CC(OC1=O)[C@H](CO)OC(=O)CCCCCCCC
Show InChI InChI=1S/C24H42O5/c1-3-5-7-9-11-12-14-16-20-18-21(29-24(20)27)22(19-25)28-23(26)17-15-13-10-8-6-4-2/h16,21-22,25H,3-15,17-19H2,1-2H3/b20-16-/t21?,22-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase C alpha


J Med Chem 43: 3209-17 (2000)


Article DOI: 10.1021/jm990613q
BindingDB Entry DOI: 10.7270/Q2WH2P71
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244416
PNG
(CHEMBL527875 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1S/C21H26BrFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.07n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085889
PNG
(CHEMBL111625 | Decanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-23(27)29-18-25(17-26)16-21(24(28)30-25)14-15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14-
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase-C alpha (PK-C alpha)


J Med Chem 43: 3209-17 (2000)


Article DOI: 10.1021/jm990613q
BindingDB Entry DOI: 10.7270/Q2WH2P71
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085889
PNG
(CHEMBL111625 | Decanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-23(27)29-18-25(17-26)16-21(24(28)30-25)14-15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14-
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


Article DOI: 10.1021/jm9904607
BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50091247
PNG
(CHEMBL110779 | Decanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
Show InChI InChI=1S/C21H36O5/c1-4-5-6-7-8-9-10-11-19(23)25-16-21(15-22)14-18(20(24)26-21)13-12-17(2)3/h13,17,22H,4-12,14-16H2,1-3H3/b18-13-
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase C alpha


J Med Chem 43: 3209-17 (2000)


Article DOI: 10.1021/jm990613q
BindingDB Entry DOI: 10.7270/Q2WH2P71
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085889
PNG
(CHEMBL111625 | Decanoic acid 2-hydroxymethyl-4-(3-...)
Show SMILES CCCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C(C)C)C(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-12-13-23(27)29-18-25(17-26)16-21(24(28)30-25)14-15-22(19(2)3)20(4)5/h14,19-20,22,26H,6-13,15-18H2,1-5H3/b21-14-
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [20-3H]-phorbol 12,13-dibutyrate (PDBU) from protein kinase C alpha with phosphatidylserine


J Med Chem 47: 644-55 (2004)


Article DOI: 10.1021/jm030454h
BindingDB Entry DOI: 10.7270/Q2R49RH2
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244693
PNG
(CHEMBL516638 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.45n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Georgetotwn University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-phorbol 12,13-dibutyrate (PDBu) binding to human recombinant protein kinase C alpha


Bioorg Med Chem Lett 11: 955-9 (2001)


Article DOI: 10.1016/s0960-894x(01)00097-x
BindingDB Entry DOI: 10.7270/Q2D799PV
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244961
PNG
(CHEMBL472520 | rac-(E/Z)-(4-heptylidene-2-(hydroxy...)
Show SMILES CCCCCC\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C29H44O5/c1-8-9-10-11-12-13-22-16-29(17-30,34-27(22)31)18-33-28(32)26-24(20(4)5)14-23(19(2)3)15-25(26)21(6)7/h13-15,19-21,30H,8-12,16-18H2,1-7H3/b22-13-
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2.5n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244413
PNG
(CHEMBL488498 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1S/C21H26BrFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.66n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085880
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9+
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2.70n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


Article DOI: 10.1021/jm9904607
BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085880
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9+
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2.70n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]-PDBU ligand from recombinant protein kinase C (baculovirus)


J Med Chem 44: 4309-12 (2001)


Article DOI: 10.1021/jm0103965
BindingDB Entry DOI: 10.7270/Q25D8R5P
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50059676
PNG
(CHEMBL3393748)
Show SMILES CC(C)C\C=C1/CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O
Show InChI InChI=1S/C22H38O5/c1-15(2)7-8-19-12-22(13-23,27-21(19)25)14-26-20(24)11-18(9-16(3)4)10-17(5)6/h8,15-18,23H,7,9-14H2,1-6H3/b19-8+
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2.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Eur J Med Chem 90: 332-41 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.025
BindingDB Entry DOI: 10.7270/Q2930VV0
More data for this
Ligand-Target Pair
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


(MOUSE)
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse recombinant PKCalpha expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C alpha C1a or C1b domain


J Med Chem 46: 2790-3 (2003)


Article DOI: 10.1021/jm030082c
BindingDB Entry DOI: 10.7270/Q2VH5PJW
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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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]-PDBU ligand from recombinant protein kinase C (baculovirus)


J Med Chem 44: 4309-12 (2001)


Article DOI: 10.1021/jm0103965
BindingDB Entry DOI: 10.7270/Q25D8R5P
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase-C alpha (PK-C alpha)


J Med Chem 43: 3209-17 (2000)


Article DOI: 10.1021/jm990613q
BindingDB Entry DOI: 10.7270/Q2WH2P71
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50091245
PNG
(3-Methyl-butyric acid 2-hydroxymethyl-4-(3-methyl-...)
Show SMILES CC(C)C\C=C1\CC(CO)(COC(=O)CC(C)C)OC1=O
Show InChI InChI=1S/C16H26O5/c1-11(2)5-6-13-8-16(9-17,21-15(13)19)10-20-14(18)7-12(3)4/h6,11-12,17H,5,7-10H2,1-4H3/b13-6-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase C alpha


J Med Chem 43: 3209-17 (2000)


Article DOI: 10.1021/jm990613q
BindingDB Entry DOI: 10.7270/Q2WH2P71
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha


J Med Chem 46: 1571-9 (2003)


Article DOI: 10.1021/jm020476o
BindingDB Entry DOI: 10.7270/Q2N58KQQ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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2.90n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant protein kinase C alpha was determined at pH 7.4, 37 degree C for 5 min


J Med Chem 48: 5738-48 (2005)


Article DOI: 10.1021/jm050352m
BindingDB Entry DOI: 10.7270/Q27M07G5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha


Bioorg Med Chem Lett 10: 653-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00070-6
BindingDB Entry DOI: 10.7270/Q2G16011
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM86435
PNG
(B8-DL-B8 | B8-DL-B8 (low PS))
Show SMILES CCC(C)(C\C=C1\CC(CO)(COC(=O)CC(C)(CC)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-9-22(7,17(3)4)12-11-19-13-24(15-25,29-21(19)27)16-28-20(26)14-23(8,10-2)18(5)6/h11,17-18,25H,9-10,12-16H2,1-8H3/b19-11-
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2.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by PDSP Ki Database




Mol Pharmacol 64: 1342-8 (2003)


Article DOI: 10.1124/mol.64.6.1342
BindingDB Entry DOI: 10.7270/Q270800T
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)


Article DOI: 10.1021/jm9904607
BindingDB Entry DOI: 10.7270/Q2RN372X
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244414
PNG
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
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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]-PDBU ligand from recombinant protein kinase C (baculovirus)


J Med Chem 44: 4309-12 (2001)


Article DOI: 10.1021/jm0103965
BindingDB Entry DOI: 10.7270/Q25D8R5P
More data for this
Ligand-Target Pair
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