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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50428092'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50428092
PNG
(CHEMBL32362 | tetrahydro-magnolol)
Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
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CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
416n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50428092
PNG
(CHEMBL32362 | tetrahydro-magnolol)
Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 10...


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair