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BDBM50275147 6-Gingerol::BDBM50317427::CHEMBL446043::GINGEROL::Gingerol::[6]-gingerol

SMILES: CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1

InChI Key: InChIKey=LPRPIMHDDACJHT-UHFFFAOYSA-N

Data: 1 KI  17 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 20 hits for monomerid = 50275147   
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


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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>1.00E+5n/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
Regulatory protein RhlR


(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 9.45E+5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa RhlR expressed in Escherichia coli DH5alpha incubated for 1.5 hrs by luminescence reporter gene assay


J Med Chem 63: 8388-8407 (2020)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/an/an/a 3.30E+3n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 5.00E+3n/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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 1.25E+5n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of COX2


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)
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/an/an/a 1.04E+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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 4.29E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMR substrate red measured every 30 sec for 30 mins by fluorescence assa...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 3.74E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition measured after 10 ...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMCC substrate blue measured every 30 sec for 30 mins by fluorescence as...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2C9 expressed in baculosomes using Vivid OOMR substrate red measured every 30 sec for 30 mins by fluorescence assa...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC4R)


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 3.07E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2C19 expressed in baculosomes using Vivid EOMCC substrate blue measured every 30 sec for 30 mins by fluorescence a...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 7.34E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 4.08E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 min...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 2.79E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 min...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 2.21E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
In vitro agonist potency was evaluated in HEK293 cells transfected with human melanocortin receptor (hMC4R)


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
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UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 1.29E+5n/an/an/an/an/an/a



National Institute of Advanced Industrial Science and Technology (AIST)

Curated by ChEMBL


Assay Description
Inhibition of COX1


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)
BDBM50275147
PNG
(6-Gingerol | BDBM50317427 | CHEMBL446043 | GINGERO...)
Show SMILES CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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n/an/a>1.00E+5n/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