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BDBM81560 Magreth-11c

SMILES: COc1ccc(cc1CC(C)Br)-c1cc(CC(C)Br)ccc1O

InChI Key: InChIKey=GIWVHEJUUAATKM-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 = 81560   
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))
BDBM81560
PNG
(Magreth-11c)
Show SMILES COc1ccc(cc1CC(C)Br)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
427n/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))
BDBM81560
PNG
(Magreth-11c)
Show SMILES COc1ccc(cc1CC(C)Br)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3
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