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BDBM50327945 (1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-butyl)-2,6,10,17-tetraoxa-tricyclo[11.3.1.1'1,5']octadecane-7,11-dione::CHEMBL1258349

SMILES: OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2

InChI Key: InChIKey=WUXPTIWFTBYPCX-CGRXCATRSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50327945   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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170n/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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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170n/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, eta


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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180n/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
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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820n/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, gamma


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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1.60E+3n/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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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2.40E+3n/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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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3.50E+3n/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))
BDBM50327945
PNG
((1R,3R,5R,9R,13R)-9-Hydroxymethyl-3-(4-phenyl-buty...)
Show SMILES OC[C@H]1CC(=O)O[C@@H]2C[C@@H](CCCCc3ccccc3)O[C@@]3(CCC[C@H](CC(=O)O1)O3)C2 |r|
Show InChI InChI=1S/C25H34O7/c26-17-22-15-24(28)29-21-13-19(10-5-4-9-18-7-2-1-3-8-18)31-25(16-21)12-6-11-20(32-25)14-23(27)30-22/h1-3,7-8,19-22,26H,4-6,9-17H2/t19-,20-,21?,22-,25-/m1/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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