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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 = 'BDBM50133548'   
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))
BDBM50133548
PNG
((6aR,10aR)-3-Benzyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C |t:1|
Show InChI InChI=1S/C23H26O2/c1-15-9-10-19-18(11-15)22-20(24)13-17(12-16-7-5-4-6-8-16)14-21(22)25-23(19,2)3/h4-9,13-14,18-19,24H,10-12H2,1-3H3/t18-,19-/m1/s1
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PC sid
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Similars

Article
PubMed
85.9n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133548
PNG
((6aR,10aR)-3-Benzyl-6,6,9-trimethyl-6a,7,10,10a-te...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(Cc3ccccc3)cc1OC2(C)C |t:1|
Show InChI InChI=1S/C23H26O2/c1-15-9-10-19-18(11-15)22-20(24)13-17(12-16-7-5-4-6-8-16)14-21(22)25-23(19,2)3/h4-9,13-14,18-19,24H,10-12H2,1-3H3/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
86n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 2 using CP55,940 as radioligand in HEK293 EBNA cells


Bioorg Med Chem Lett 13: 3487-90 (2003)


BindingDB Entry DOI: 10.7270/Q2251HMM
More data for this
Ligand-Target Pair