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Compile Data Set for Download or QSAR

Found 890 hits with Last Name = 'nakagawa' and Initial = 'y'   
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 theta 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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0.160n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B 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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412684
PNG
(CHEMBL467451)
Show SMILES CCCCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C13H25F3O4S/c1-2-3-4-5-6-7-8-9-10-21(19,20)11-12(17,18)13(14,15)16/h17-18H,2-11H2,1H3
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0.302n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Protein kinase C, eta


(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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0.340n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
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
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)


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, eta


(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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0.360n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCeta C1B 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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412686
PNG
(CHEMBL467450)
Show SMILES CCCCCCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C15H29F3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-23(21,22)13-14(19,20)15(16,17)18/h19-20H,2-13H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412687
PNG
(CHEMBL463556)
Show SMILES CCCCCCCCCCCCS(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C15H29F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-22(21)13-14(19,20)15(16,17)18/h19-20H,2-13H2,1H3
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0.398n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
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 delta 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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0.410n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKC delta C1B 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
PKC alpha and beta-2


(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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0.450n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKC beta 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 delta type


(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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0.460n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
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


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412685
PNG
(CHEMBL464002)
Show SMILES CCCCCCCCCCS(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C13H25F3O3S/c1-2-3-4-5-6-7-8-9-10-20(19)11-12(17,18)13(14,15)16/h17-18H,2-11H2,1H3
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0.501n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
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
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)


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, 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)


Article DOI: 10.1016/s0960-894x(01)00045-2
BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412693
PNG
(CHEMBL460806)
Show SMILES CCCCCCCCS(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C11H21F3O3S/c1-2-3-4-5-6-7-8-18(17)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3
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0.603n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412692
PNG
(CHEMBL460807)
Show SMILES CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C11H21F3O4S/c1-2-3-4-5-6-7-8-19(17,18)9-10(15,16)11(12,13)14/h15-16H,2-9H2,1H3
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0.603n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Protein kinase C, gamma


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



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKC gamma 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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412691
PNG
(CHEMBL449775)
Show SMILES CCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C9H17F3O4S/c1-2-3-4-5-6-17(15,16)7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3
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0.708n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
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
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)


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, 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
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)


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 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
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)


Article DOI: 10.1016/s0960-894x(01)00045-2
BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412690
PNG
(CHEMBL449475)
Show SMILES CCCCCCOCC(O)(O)C(F)(F)F
Show InChI InChI=1S/C9H17F3O3/c1-2-3-4-5-6-15-7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3
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1n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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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1.10n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535777
PNG
(CHEMBL4565484)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC)cccc1OC)=C\C(=O)OC
Show InChI InChI=1S/C41H54O14/c1-7-8-9-10-11-15-34(43)54-38-27(22-36(45)50-6)20-28-23-29(24-42)53-35(44)18-19-51-31-17-16-26(37-32(48-4)13-12-14-33(37)49-5)21-30(31)39(46)52-25-40(2,3)41(38,47)55-28/h12-14,16-17,21-22,28-29,38,42,47H,7-11,15,18-20,23-25H2,1-6H3/b27-22+/t28-,29+,38-,41+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

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


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, PKC; classical/novel


(Homo sapiens (Human))
BDBM50491400
PNG
(CHEMBL2381165)
Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccc(I)c(O)c4)O[C@@]1(C3)O2
Show InChI InChI=1S/C27H37IO8/c1-26(2)10-9-19-13-24(31)34-21(16-29)14-25(32)33-20-12-18(35-27(26,15-20)36-19)6-4-3-5-17-7-8-22(28)23(30)11-17/h7-8,11,18-21,29-30H,3-6,9-10,12-16H2,1-2H3/t18-,19-,20-,21-,27+/m1/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 PKCdelta-C1B domain peptide (unknown origin)


Bioorg Med Chem 21: 2695-702 (2013)


BindingDB Entry DOI: 10.7270/Q26M39RD
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)


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 theta type


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



Kyoto University

Curated by ChEMBL


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


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
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
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)


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))
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, 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
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)


Article DOI: 10.1016/s0960-894x(01)00045-2
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
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)


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, 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
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)


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, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535778
PNG
(CHEMBL4533216)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC(C)C)cccc1OC(C)C)=C\C(=O)OC
Show InChI InChI=1S/C45H62O14/c1-9-10-11-12-13-17-38(47)58-42-31(24-40(49)52-8)22-32-25-33(26-46)57-39(48)20-21-53-35-19-18-30(23-34(35)43(50)54-27-44(6,7)45(42,51)59-32)41-36(55-28(2)3)15-14-16-37(41)56-29(4)5/h14-16,18-19,23-24,28-29,32-33,42,46,51H,9-13,17,20-22,25-27H2,1-8H3/b31-24+/t32-,33+,42-,45+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

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
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)


Article DOI: 10.1016/s0960-894x(01)00045-2
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
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)


Article DOI: 10.1016/s0960-894x(01)00045-2
BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50371959
PNG
(CHEMBL86668)
Show SMILES CCCCCCCCCCC(=O)C(F)(F)F
Show InChI InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2-10H2,1H3
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2.29n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535789
PNG
(CHEMBL4574406)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC(C)C)cc1)=C\C(=O)OC
Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-12-36(44)54-39-30(23-38(46)49-6)21-32-24-33(25-43)53-37(45)19-20-50-35-18-15-29(28-13-16-31(17-14-28)52-27(2)3)22-34(35)40(47)51-26-41(4,5)42(39,48)55-32/h13-18,22-23,27,32-33,39,43,48H,7-12,19-21,24-26H2,1-6H3/b30-23+/t32-,33+,39-,42+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535791
PNG
(CHEMBL4593581)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(C)noc1C)=C\C(=O)OC
Show InChI InChI=1S/C38H51NO13/c1-7-8-9-10-11-12-31(41)50-35-26(19-33(43)46-6)17-27-20-28(21-40)49-32(42)15-16-47-30-14-13-25(34-23(2)39-52-24(34)3)18-29(30)36(44)48-22-37(4,5)38(35,45)51-27/h13-14,18-19,27-28,35,40,45H,7-12,15-17,20-22H2,1-6H3/b26-19+/t27-,28+,35-,38+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

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
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)


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, 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
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)


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, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535790
PNG
(CHEMBL4536091)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC)=C\C(=O)OC
Show InChI InChI=1S/C41H52O14/c1-6-7-8-9-10-11-34(43)54-37-29(22-36(45)49-4)20-30-23-31(24-42)53-35(44)18-19-51-33-17-16-28(26-12-14-27(15-13-26)38(46)50-5)21-32(33)39(47)52-25-40(2,3)41(37,48)55-30/h12-17,21-22,30-31,37,42,48H,6-11,18-20,23-25H2,1-5H3/b29-22+/t30-,31+,37-,41+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50412694
PNG
(CHEMBL460808)
Show SMILES CCCCCCS(=O)CC(O)(O)C(F)(F)F
Show InChI InChI=1S/C9H17F3O3S/c1-2-3-4-5-6-16(15)7-8(13,14)9(10,11)12/h13-14H,2-7H2,1H3
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3.31n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535785
PNG
(CHEMBL4526756)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC(C)C)=C\C(=O)OC
Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-16-36(44)54-39-29(23-38(46)49-6)21-30-24-31(25-43)53-37(45)19-20-50-34-18-17-28(32-14-12-13-15-35(32)52-27(2)3)22-33(34)40(47)51-26-41(4,5)42(39,48)55-30/h12-15,17-18,22-23,27,30-31,39,43,48H,7-11,16,19-21,24-26H2,1-6H3/b29-23+/t30-,31+,39-,42+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50491401
PNG
(CHEMBL2381162)
Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cc(O)ccc4Br)O[C@@]1(C3)O2
Show InChI InChI=1S/C27H37BrO8/c1-26(2)10-9-20-13-24(31)34-22(16-29)14-25(32)33-21-12-19(35-27(26,15-21)36-20)6-4-3-5-17-11-18(30)7-8-23(17)28/h7-8,11,19-22,29-30H,3-6,9-10,12-16H2,1-2H3/t19-,20-,21-,22-,27+/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCdelta-C1B domain peptide (unknown origin)


Bioorg Med Chem 21: 2695-702 (2013)


BindingDB Entry DOI: 10.7270/Q26M39RD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535782
PNG
(CHEMBL4576842)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc(c1)S(=O)(=O)N(CC)CC)=C\C(=O)OC
Show InChI InChI=1S/C43H59NO14S/c1-7-10-11-12-13-17-37(46)57-40-31(25-39(48)53-6)22-32-26-33(27-45)56-38(47)20-21-54-36-19-18-30(24-35(36)41(49)55-28-42(4,5)43(40,50)58-32)29-15-14-16-34(23-29)59(51,52)44(8-2)9-3/h14-16,18-19,23-25,32-33,40,45,50H,7-13,17,20-22,26-28H2,1-6H3/b31-25+/t32-,33+,40-,43+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50371969
PNG
(CHEMBL270374)
Show SMILES CCCCCCCCCCSCC(=O)C(F)(F)F
Show InChI InChI=1S/C13H23F3OS/c1-2-3-4-5-6-7-8-9-10-18-11-12(17)13(14,15)16/h2-11H2,1H3
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3.98n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human carboxylesterase 1 after 24 hrs


Bioorg Med Chem 17: 149-64 (2008)


Article DOI: 10.1016/j.bmc.2008.11.008
BindingDB Entry DOI: 10.7270/Q2JH3NFK
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50327946
PNG
(1S,3R,5R,9R,13R)-9-Hydroxymethyl-3-[4-(3-hydroxy-p...)
Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2
Show InChI InChI=1S/C27H38O8/c1-26(2)11-10-21-14-24(30)33-23(17-28)15-25(31)32-22-13-20(34-27(26,16-22)35-21)9-4-3-6-18-7-5-8-19(29)12-18/h5,7-8,12,20-23,28-29H,3-4,6,9-11,13-17H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1
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4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B 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, PKC; classical/novel


(Homo sapiens (Human))
BDBM50535775
PNG
(CHEMBL4525186)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC)cc1)=C\C(=O)OC
Show InChI InChI=1S/C40H52O13/c1-6-7-8-9-10-11-34(42)52-37-28(22-36(44)48-5)20-30-23-31(24-41)51-35(43)18-19-49-33-17-14-27(26-12-15-29(47-4)16-13-26)21-32(33)38(45)50-25-39(2,3)40(37,46)53-30/h12-17,21-22,30-31,37,41,46H,6-11,18-20,23-25H2,1-5H3/b28-22+/t30-,31+,37-,40+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...


J Nat Prod 79: 680-4 (2016)

More data for this
Ligand-Target Pair
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