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BDBM50059670 CHEMBL3393756

SMILES: CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O

InChI Key: InChIKey=SMOYJWUKHYTHIN-PCLIKHOPSA-N

Data: 4 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 4 hits for monomerid = 50059670   
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


(Homo sapiens (Human))
BDBM50059670
PNG
(CHEMBL3393756)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/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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Article
PubMed
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


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))
BDBM50059670
PNG
(CHEMBL3393756)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/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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KEGG

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PC sid
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Article
PubMed
27n/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


(Homo sapiens (Human))
BDBM50059670
PNG
(CHEMBL3393756)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/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+
PDB
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NCI pathway
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KEGG

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PC sid
UniChem

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Article
PubMed
41n/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))
BDBM50059670
PNG
(CHEMBL3393756)
Show SMILES CCCCCC1CC1CC1CC1CCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/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+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
110n/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