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Compile Data Set for Download or QSAR

Found 655 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C, epsilon' AND taxid = 9606   
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
Protein kinase C, epsilon


(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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PubMed
0.450n/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 epsilon


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

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50229772
PNG
(1-hexylindolactam-V | CHEMBL399981)
Show SMILES CCCCCCn1cc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
Show InChI InChI=1S/C23H35N3O2/c1-5-6-7-8-12-26-14-17-13-18(15-27)24-23(28)22(16(2)3)25(4)19-10-9-11-20(26)21(17)19/h9-11,14,16,18,22,27H,5-8,12-13,15H2,1-4H3,(H,24,28)/t18-,22-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon C1B domain


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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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0.550n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C epsilon


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C epsilon C1b domain


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

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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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0.630n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCepsilon C1B domain


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50427363
PNG
(CHEMBL2326002)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl
Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKC epsilon (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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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1n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50107120
PNG
((E) 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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1n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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=1/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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1.20n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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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1.30n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCepsilon C1B peptide


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50107120
PNG
((E) 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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1.40n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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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1.40n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C epsilon C1b domain


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

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50391388
PNG
(CHEMBL2148108)
Show SMILES C[C@@H]1[C@@H](CCCCc2cccc(O)c2)O[C@]23C[C@@H]1OC(=O)C[C@H](CO)OC(=O)C[C@@H](CCC2(C)C)O3
Show InChI InChI=1S/C28H40O8/c1-18-23(10-5-4-7-19-8-6-9-20(30)13-19)36-28-16-24(18)34-26(32)15-22(17-29)33-25(31)14-21(35-28)11-12-27(28,2)3/h6,8-9,13,18,21-24,29-30H,4-5,7,10-12,14-17H2,1-3H3/t18-,21-,22-,23-,24?,28-/m1/s1
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2n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCepsilon C1B domain


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059781
PNG
(CHEMBL3393741)
Show SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h8-9,11-12,21,25,30H,4-7,10,13-20,22-24H2,1-3H3/b9-8+,12-11+,26-21+
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2.10n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50017890
PNG
(CHEMBL3289012)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3n(C)ccc3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-18(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-17-8-9-21-19(12-17)10-11-25(21)3/h8-13,18,26H,4-7,14-16H2,1-3H3/b20-13+
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2.20n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50216860
PNG
(CHEMBL230048 | Z-[2-(Hydroxymethyl)-4-(3-methylbut...)
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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2.40n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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=1/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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3n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059673
PNG
(CHEMBL3393754)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-29(23-30,34-26(25)31)24-33-27(32)28(2,3)4/h9-10,12-13,21,30H,5-8,11,14-20,22-24H2,1-4H3/b10-9-,13-12-,25-21+
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PubMed
4.10n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059713
PNG
(CHEMBL3393750)
Show SMILES CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-10,13-20,22-24H2,1-3H3/b26-21+
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4.80n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059675
PNG
(CHEMBL3393753)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-29(23-30,34-26(25)31)24-33-27(32)28(2,3)4/h9-10,12-13,21,30H,5-8,11,14-20,22-24H2,1-4H3/b10-9-,13-12-,25-21-
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5.10n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059760
PNG
(CHEMBL3393752)
Show SMILES CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-8,13-20,22-24H2,1-3H3/b26-21+
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5.20n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059673
PNG
(CHEMBL3393754)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-29(23-30,34-26(25)31)24-33-27(32)28(2,3)4/h9-10,12-13,21,30H,5-8,11,14-20,22-24H2,1-4H3/b10-9-,13-12-,25-21+
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5.20n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059779
PNG
(CHEMBL3393743)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C31H52O5/c1-4-5-9-12-24-17-27(24)19-28-18-25(28)13-10-7-6-8-11-14-29(33)35-22-31(21-32)20-26(30(34)36-31)16-15-23(2)3/h16,23-25,27-28,32H,4-15,17-22H2,1-3H3/b26-16+
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5.5n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059668
PNG
(CHEMBL3393758)
Show SMILES CCCCCCCCCCCCCCCCC\C=C1\CC(=O)OC1(CO)COC(=O)C(C)(C)C
Show InChI InChI=1/C29H52O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(31)34-29(25,23-30)24-33-27(32)28(2,3)4/h21,30H,5-20,22-24H2,1-4H3/b25-21-
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5.90n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059677
PNG
(CHEMBL3393749)
Show SMILES CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-10,13-20,22-24H2,1-3H3/b26-21-
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7.10n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059769
PNG
(CHEMBL3393745)
Show SMILES CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O7/c1-4-5-9-12-23-25(34-23)17-26-24(35-26)13-10-7-6-8-11-14-27(31)33-20-29(19-30)18-22(28(32)36-29)16-15-21(2)3/h16,21,23-26,30H,4-15,17-20H2,1-3H3/b22-16+
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7.5n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon C1B domain


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon C1B domain


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50017891
PNG
(CHEMBL3289013)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc3ccn(C)c3c2)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-6-19(7-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)12-17-8-9-18-10-11-25(3)21(18)13-17/h8-13,19,26H,4-7,14-16H2,1-3H3/b20-12+
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8.10n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50249959
PNG
(CHEMBL522428 | [2-(Hydroxymethyl)-4-(methylethylid...)
Show SMILES CC(C)=C1CC(CO)(COC(=O)c2ccc(cc2)C#Cc2ccc(C)cc2)OC1=O
Show InChI InChI=1S/C25H24O5/c1-17(2)22-14-25(15-26,30-24(22)28)16-29-23(27)21-12-10-20(11-13-21)9-8-19-6-4-18(3)5-7-19/h4-7,10-13,26H,14-16H2,1-3H3
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8.30n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form human PKCepsilon in presence of plasma membrane lipid mimetic mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059670
PNG
(CHEMBL3393756)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1/C31H52O5/c1-5-6-11-14-23-17-26(23)19-27-18-24(27)15-12-9-7-8-10-13-16-25-20-31(21-32,36-28(25)33)22-35-29(34)30(2,3)4/h16,23-24,26-27,32H,5-15,17-22H2,1-4H3/b25-16+
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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-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059713
PNG
(CHEMBL3393750)
Show SMILES CCCCCCCCC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-10,13-20,22-24H2,1-3H3/b26-21+
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9.10n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059675
PNG
(CHEMBL3393753)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1/C29H48O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-29(23-30,34-26(25)31)24-33-27(32)28(2,3)4/h9-10,12-13,21,30H,5-8,11,14-20,22-24H2,1-4H3/b10-9-,13-12-,25-21-
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9.60n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059780
PNG
(CHEMBL3393742)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
Show InChI InChI=1/C31H52O5/c1-4-5-9-12-24-17-27(24)19-28-18-25(28)13-10-7-6-8-11-14-29(33)35-22-31(21-32)20-26(30(34)36-31)16-15-23(2)3/h16,23-25,27-28,32H,4-15,17-22H2,1-3H3/b26-16-
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9.80n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50249959
PNG
(CHEMBL522428 | [2-(Hydroxymethyl)-4-(methylethylid...)
Show SMILES CC(C)=C1CC(CO)(COC(=O)c2ccc(cc2)C#Cc2ccc(C)cc2)OC1=O
Show InChI InChI=1S/C25H24O5/c1-17(2)22-14-25(15-26,30-24(22)28)16-29-23(27)21-12-10-20(11-13-21)9-8-19-6-4-18(3)5-7-19/h4-7,10-13,26H,14-16H2,1-3H3
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10n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form human PKCepsilon in presence of phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059762
PNG
(CHEMBL3393747)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-20,22-24H2,1-3H3/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-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50017892
PNG
(CHEMBL3289014)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3ccn(C)c23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-18(8-5-2)22(27)29-16-24(15-26)14-20(23(28)30-24)13-19-10-6-9-17-11-12-25(3)21(17)19/h6,9-13,18,26H,4-5,7-8,14-16H2,1-3H3/b20-13+
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12n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059669
PNG
(CHEMBL3393757)
Show SMILES CCCCCCCCCCCCCCCCC\C=C1/CC(=O)OC1(CO)COC(=O)C(C)(C)C
Show InChI InChI=1/C29H52O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(31)34-29(25,23-30)24-33-27(32)28(2,3)4/h21,30H,5-20,22-24H2,1-4H3/b25-21+
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12n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059784
PNG
(CHEMBL3393654)
Show SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h8-9,11-12,21,25,30H,4-7,10,13-20,22-24H2,1-3H3/b9-8+,12-11+,26-21-
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12n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059716
PNG
(CHEMBL3393751)
Show SMILES CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
Show InChI InChI=1/C29H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-8,13-20,22-24H2,1-3H3/b26-21-
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13n/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 PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059781
PNG
(CHEMBL3393741)
Show SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h8-9,11-12,21,25,30H,4-7,10,13-20,22-24H2,1-3H3/b9-8+,12-11+,26-21+
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13n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059760
PNG
(CHEMBL3393752)
Show SMILES CCCCCCC#CC#CCCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1/C29H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)33-24-29(23-30)22-26(28(32)34-29)21-20-25(2)3/h21,25,30H,4-8,13-20,22-24H2,1-3H3/b26-21+
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13n/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 PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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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15n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059671
PNG
(CHEMBL3393755)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1/C31H52O5/c1-5-6-11-14-23-17-26(23)19-27-18-24(27)15-12-9-7-8-10-13-16-25-20-31(21-32,36-28(25)33)22-35-29(34)30(2,3)4/h16,23-24,26-27,32H,5-15,17-22H2,1-4H3/b25-16-
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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-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50017889
PNG
(CHEMBL3289011)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cccc3n(C)ccc23)C(=O)O1
Show InChI InChI=1S/C24H31NO5/c1-4-7-17(8-5-2)22(27)29-16-24(15-26)14-19(23(28)30-24)13-18-9-6-10-21-20(18)11-12-25(21)3/h6,9-13,17,26H,4-5,7-8,14-16H2,1-3H3/b19-13+
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15n/an/an/an/an/an/an/an/a



National Institute of Industrial Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from recombinant human PKC-epsilon after 5 mins by scintillation counting analysis in presence of phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (human))
BDBM50059775
PNG
(CHEMBL3393744)
Show SMILES CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(C)C)C(=O)O1
Show InChI InChI=1/C29H48O7/c1-4-5-9-12-23-25(34-23)17-26-24(35-26)13-10-7-6-8-11-14-27(31)33-20-29(19-30)18-22(28(32)36-29)16-15-21(2)3/h16,21,23-26,30H,4-15,17-20H2,1-3H3/b22-16-
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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-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


Citation and Details
More data for this
Ligand-Target Pair
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