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BDBM81569 Magreth-19

SMILES: CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OCC

InChI Key: InChIKey=ZBAYEOYBEJFJCK-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 81569   
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))
BDBM81569
PNG
(Magreth-19)
Show SMILES CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OCC
Show InChI InChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
134n/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))
BDBM81569
PNG
(Magreth-19)
Show SMILES CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OCC
Show InChI InChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+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