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BDBM50529607 BETA-CARYOPHYLLENE::Beta-Caryophylene::Beta-Caryophyllene::CHEBI:10357

SMILES: [H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C

InChI Key: InChIKey=NPNUFJAVOOONJE-GFUGXAQUSA-N

Data: 2 KI  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 4 hits for monomerid = 50529607   
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))
BDBM50529607
PNG
(BETA-CARYOPHYLLENE | Beta-Caryophylene | Beta-Cary...)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C |r,t:12|
Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Univerisity of Eastern Finland (UEF)

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation counting method


Eur J Med Chem 157: 198-228 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.076
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50529607
PNG
(BETA-CARYOPHYLLENE | Beta-Caryophylene | Beta-Cary...)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C |r,t:12|
Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Univerisity of Eastern Finland (UEF)

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation counting method


Eur J Med Chem 157: 198-228 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.076
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50529607
PNG
(BETA-CARYOPHYLLENE | Beta-Caryophylene | Beta-Cary...)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C |r,t:12|
Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Univerisity of Eastern Finland (UEF)

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human Cb2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP levels measured up to...


Eur J Med Chem 157: 198-228 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.076
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50529607
PNG
(BETA-CARYOPHYLLENE | Beta-Caryophylene | Beta-Cary...)
Show SMILES [H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C\CCC2=C |r,t:12|
Show InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Univerisity of Eastern Finland (UEF)

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human Cb2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-stimulated cAMP levels measured up to...


Eur J Med Chem 157: 198-228 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.076
More data for this
Ligand-Target Pair