new BindingDB logo
myBDB logout

BDBM50317425 10-Gingerol::CHEMBL549472

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

InChI Key: InChIKey=AIULWNKTYPZYAN-SFHVURJKSA-N

Data: 1 KI  12 IC50

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 13 hits for monomerid = 50317425   
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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
3.74E+3n/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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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 3A


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.18E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 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 2A6


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.83E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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 2D6


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.49E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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 3A


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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 3A


(Homo sapiens (Human))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.49E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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))
BDBM50317425
PNG
(10-Gingerol | CHEMBL549472)
Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL




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