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Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'wender' and Initial = 'pa'   
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 eta


(Mus musculus)
BDBM50064089
PNG
(4-hydroxymethyl-7,10-diisopropyl-8,10,13-trimethyl...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(C[C@@H](CO)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta


Bioorg Med Chem Lett 6: 353-356 (1996)


Article DOI: 10.1016/0960-894X(96)00026-1
BindingDB Entry DOI: 10.7270/Q2NG4QMM
More data for this
Ligand-Target Pair
Protein kinase C, eta


(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 |c:22,t:12|
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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0.350n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C delta type


(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 |c:22,t:12|
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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0.550n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
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 |c:22,t:12|
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)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C eta


(Mus musculus)
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 |c:23,t:12|
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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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta


Bioorg Med Chem Lett 6: 353-356 (1996)


Article DOI: 10.1016/0960-894X(96)00026-1
BindingDB Entry DOI: 10.7270/Q2NG4QMM
More data for this
Ligand-Target Pair
Protein kinase C theta type


(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 |c:22,t:12|
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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0.730n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, eta


(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 |c:23,t:12|
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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0.950n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C delta 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 |c:23,t:12|
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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1n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
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 |c:23,t:12|
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)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C theta 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 |c:23,t:12|
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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1.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |c:23,t:12|
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 eta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
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 |c:23,t:12|
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)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |c:23,t:12|
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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1.80n/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)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |c:22,t:12|
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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1.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C gamma


(Rattus norvegicus)
BDBM50064089
PNG
(4-hydroxymethyl-7,10-diisopropyl-8,10,13-trimethyl...)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(C[C@@H](CO)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28+/m0/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma


Bioorg Med Chem Lett 6: 353-356 (1996)


Article DOI: 10.1016/0960-894X(96)00026-1
BindingDB Entry DOI: 10.7270/Q2NG4QMM
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |c:23,t:12|
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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2n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |c:22,t:12|
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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2.20n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |c:22,t:12|
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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2.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(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 |c:23,t:12|
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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2.90n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C eta


(Mus musculus)
BDBM50280454
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3NCC(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H25N3O2/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/h4-6,10-12,16,18,21H,7-9H2,1-3H3,(H,19,22)/t11?,12-,16-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta


Bioorg Med Chem Lett 6: 353-356 (1996)


Article DOI: 10.1016/0960-894X(96)00026-1
BindingDB Entry DOI: 10.7270/Q2NG4QMM
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |c:22,t:12|
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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4.10n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |c:22,t:12|
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 beta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(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 |c:22,t:12|
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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5.20n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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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5.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL




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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C theta-C1B domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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
Binding affinity for Protein kinase C gamma C1b domain


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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(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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8.30n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(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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8.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |c:23,t:12|
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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10n/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)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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13n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C beta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(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 |c:22,t:12|
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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14n/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 C1b domain


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |c:22,t:12|
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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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 delta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C eta


(Mus musculus)
BDBM50015677
PNG
((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...)
Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC |r|
Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta


Bioorg Med Chem Lett 6: 353-356 (1996)


Article DOI: 10.1016/0960-894X(96)00026-1
BindingDB Entry DOI: 10.7270/Q2NG4QMM
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |c:23,t:12|
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 gamma C1b domain


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


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |c:23,t:12|
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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17n/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)


BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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18n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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21n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C eta C1a domain


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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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24n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C eta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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24n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C theta-C1B domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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36n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C beta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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42n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL




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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C gamma


(Rattus norvegicus)
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 |c:23,t:12|
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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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma


Bioorg Med Chem Lett 6: 353-356 (1996)


Article DOI: 10.1016/0960-894X(96)00026-1
BindingDB Entry DOI: 10.7270/Q2NG4QMM
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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55n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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62n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50078563
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27+,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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64n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1a domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC |t:36|
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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66n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50092015
PNG
((10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=S)c23
Show InChI InChI=1S/C17H23N3OS/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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68n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C eta C1b domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
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