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BDBM81558 Magreth-11a

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

InChI Key: InChIKey=ZZVCORQGJBSHDI-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 81558   
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))
BDBM81558
PNG
(Magreth-11a)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.08E+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))
BDBM81558
PNG
(Magreth-11a)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
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
GABA-A receptor; GABA-A site (alpha1/beta2 interface)


(Homo sapiens (Human))
BDBM81558
PNG
(Magreth-11a)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.40E+3n/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