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BDBM50240419 (E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one::6-shogaol::CHEMBL25948::[(E)-1-(4-hydroxy-3-methoxyphenyl)-dec-4-en-3-one]::[6]-shogaol::trans-6-shogaol

SMILES: CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1

InChI Key: InChIKey=OQWKEEOHDMUXEO-UHFFFAOYSA-N

Data: 1 KI  7 IC50  2 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 10 hits for monomerid = 50240419   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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1.80E+4n/an/an/an/an/an/an/an/a



Department of Chemistry and Applied Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 18: 3345-51 (2010)


Article DOI: 10.1016/j.bmc.2010.02.062
BindingDB Entry DOI: 10.7270/Q2RN381W
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a 1.67E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as inhibition of AITC-induced calcium influx incubated for 5 mins pri...


Bioorg Med Chem Lett 22: 1674-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.113
BindingDB Entry DOI: 10.7270/Q20002JM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/an/an/a 320n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry


Bioorg Med Chem Lett 22: 1674-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.113
BindingDB Entry DOI: 10.7270/Q20002JM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a 7.77E+4n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 by radiometric assay


J Nat Prod 67: 1079-83 (2004)


Article DOI: 10.1021/np030556a
BindingDB Entry DOI: 10.7270/Q2668CZP
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a 2.46E+4n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LTA4H epoxide hydrolase activity expressed in Escherichia coli assessed as reduction in LTB4 pr...


Bioorg Med Chem 25: 1277-1285 (2017)


Article DOI: 10.1016/j.bmc.2016.12.048
BindingDB Entry DOI: 10.7270/Q2SJ1NMK
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of 5LOX


Bioorg Med Chem 16: 10332-7 (2008)


Article DOI: 10.1016/j.bmc.2008.10.038
BindingDB Entry DOI: 10.7270/Q24M94C2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/an/an/a 1.60E+4n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry


Bioorg Med Chem Lett 22: 1674-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.113
BindingDB Entry DOI: 10.7270/Q20002JM
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human LTA4H epoxide hydrolase activity expressed in Escherichia coli assessed as reduction in LTB4 pr...


Bioorg Med Chem 25: 1277-1285 (2017)


Article DOI: 10.1016/j.bmc.2016.12.048
BindingDB Entry DOI: 10.7270/Q2SJ1NMK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 ion channel expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx incubated for 5 m...


Bioorg Med Chem Lett 22: 1674-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.113
BindingDB Entry DOI: 10.7270/Q20002JM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50240419
PNG
((E)-1-(4-Hydroxy-3-methoxy-phenyl)-dec-4-en-3-one ...)
Show SMILES CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
Show InChI InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by radiometric assay


J Nat Prod 67: 1079-83 (2004)


Article DOI: 10.1021/np030556a
BindingDB Entry DOI: 10.7270/Q2668CZP
More data for this
Ligand-Target Pair