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BDBM78304 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol::2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol::4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol::MLS001048917::SMR000387108::cid_72300

SMILES: Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O

InChI Key: InChIKey=VVOAZFWZEDHOOU-UHFFFAOYSA-N

Data: 3 KI  1 IC50  3 EC50

PDB links: 2 PDB IDs match this monomer.

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 7 hits for monomerid = 78304   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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Article
PubMed
1.44E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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3.15E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
GABA-A receptor; GABA-A site (alpha1/beta2 interface)


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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n/an/an/an/a 3.68E+4n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Modulation of GABA Aalpha1beta2 receptor expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current at holding pot...


J Med Chem 54: 5349-61 (2011)


Article DOI: 10.1021/jm200186n
BindingDB Entry DOI: 10.7270/Q2QR4XGP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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n/an/an/an/a 3.28E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 10...


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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n/an/an/an/a 1.83E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 10...


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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n/an/a 6.83E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair