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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 = 'BDBM50543744'   
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))
BDBM50543744
PNG
(CHEMBL4637806)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1OC
Show InChI InChI=1S/C28H47NO3/c1-3-4-5-12-15-25-19-20-26(22-27(25)31-2)32-21-14-11-9-7-6-8-10-13-16-28(30)29-23-24-17-18-24/h19-20,22,24H,3-18,21,23H2,1-2H3,(H,29,30)
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MCE
PC cid
PC sid
UniChem
Article
PubMed
49n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50543744
PNG
(CHEMBL4637806)
Show SMILES CCCCCCc1ccc(OCCCCCCCCCCC(=O)NCC2CC2)cc1OC
Show InChI InChI=1S/C28H47NO3/c1-3-4-5-12-15-25-19-20-26(22-27(25)31-2)32-21-14-11-9-7-6-8-10-13-16-28(30)29-23-24-17-18-24/h19-20,22,24H,3-18,21,23H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 174n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cell membrane assessed as inhibition of [35S]-GTPgammaS binding incubated for 1 hr by by liqu...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115513
BindingDB Entry DOI: 10.7270/Q2R49VB2
More data for this
Ligand-Target Pair