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BDBM81567 Magreth-18a

SMILES: CCCCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1

InChI Key: InChIKey=ZYXPZNUJASUZOF-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 = 81567   
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))
BDBM81567
PNG
(Magreth-18a)
Show SMILES CCCCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C23H28O2/c1-4-7-8-15-25-23-14-11-18(9-5-2)16-21(23)19-12-13-22(24)20(17-19)10-6-3/h5-6,11-14,16-17,24H,2-4,7-10,15H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
102n/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))
BDBM81567
PNG
(Magreth-18a)
Show SMILES CCCCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C23H28O2/c1-4-7-8-15-25-23-14-11-18(9-5-2)16-21(23)19-12-13-22(24)20(17-19)10-6-3/h5-6,11-14,16-17,24H,2-4,7-10,15H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+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