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BDBM50307103 (1E,4Z,6E)-7-(4-(Hexadecyloxy)-3-methoxyphenyl)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one::CHEMBL599997

SMILES: CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC

InChI Key: InChIKey=DWNSXSCAAWZNBW-WFYKWJGLSA-N

Data: 3 EC50

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 3 hits for monomerid = 50307103   
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))
BDBM50307103
PNG
((1E,4Z,6E)-7-(4-(Hexadecyloxy)-3-methoxyphenyl)-5-...)
Show SMILES CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H36O6/c1-4-5-6-7-8-9-18-35-27-17-13-23(20-29(27)34-3)11-15-25(31)21-24(30)14-10-22-12-16-26(32)28(19-22)33-2/h10-17,19-20,32H,4-9,18,21H2,1-3H3/b14-10+,15-11+
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.69E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCdelta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50307103
PNG
((1E,4Z,6E)-7-(4-(Hexadecyloxy)-3-methoxyphenyl)-5-...)
Show SMILES CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H36O6/c1-4-5-6-7-8-9-18-35-27-17-13-23(20-29(27)34-3)11-15-25(31)21-24(30)14-10-22-12-16-26(32)28(19-22)33-2/h10-17,19-20,32H,4-9,18,21H2,1-3H3/b14-10+,15-11+
PDB
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50307103
PNG
((1E,4Z,6E)-7-(4-(Hexadecyloxy)-3-methoxyphenyl)-5-...)
Show SMILES CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H36O6/c1-4-5-6-7-8-9-18-35-27-17-13-23(20-29(27)34-3)11-15-25(31)21-24(30)14-10-22-12-16-26(32)28(19-22)33-2/h10-17,19-20,32H,4-9,18,21H2,1-3H3/b14-10+,15-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.79E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCepsilon expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair