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BDBM50317426 8-Gingerol::CHEMBL1095671

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

InChI Key: InChIKey=BCIWKKMTBRYQJU-INIZCTEOSA-N

Data: 1 KI  15 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 16 hits for monomerid = 50317426   
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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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1.17E+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
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 2.20E+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 2B6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.10E+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 1A


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 2.73E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.70E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.10E+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 3A


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 1.05E+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 2A6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 5.90E+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 2D6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 7.45E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 6.80E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 1.16E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.10E+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 2E1


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 9.32E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.70E+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))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 4.27E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


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