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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 = 'BDBM50222787'   
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))
BDBM50222787
PNG
((4bR,8aR)-6,9,9-trimethyl-2-pentyl-4b,7,8,8a,9,10-...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Cc2c1 |t:11|
Show InChI InChI=1S/C22H32O/c1-5-6-7-8-16-12-17-14-22(3,4)19-10-9-15(2)11-18(19)21(17)20(23)13-16/h11-13,18-19,23H,5-10,14H2,1-4H3/t18-,19-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222787
PNG
((4bR,8aR)-6,9,9-trimethyl-2-pentyl-4b,7,8,8a,9,10-...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Cc2c1 |t:11|
Show InChI InChI=1S/C22H32O/c1-5-6-7-8-16-12-17-14-22(3,4)19-10-9-15(2)11-18(19)21(17)20(23)13-16/h11-13,18-19,23H,5-10,14H2,1-4H3/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair