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SMILES: CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1

InChI Key: InChIKey=IHPBZPYDPATSLB-WGOQTCKBSA-N

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 4 hits for monomerid = 50059779   
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 epsilon type


(Homo sapiens (Human))
BDBM50059779
PNG
(CHEMBL3393743)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1S/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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Article
PubMed
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


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


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


(Homo sapiens (Human))
BDBM50059779
PNG
(CHEMBL3393743)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1S/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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Article
PubMed
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 PKCalpha (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine


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


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


(Homo sapiens (Human))
BDBM50059779
PNG
(CHEMBL3393743)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1S/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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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


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


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


(Homo sapiens (Human))
BDBM50059779
PNG
(CHEMBL3393743)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(C)C)C(=O)O1
Show InChI InChI=1S/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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Article
PubMed
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 PKCalpha (unknown origin) in presence of nuclear membrane mimetic lipid mixture


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


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