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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 = 'BDBM50055283'   
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))
BDBM50055283
PNG
(CHEMBL3323685)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-11-16-24-21-26(30)23-27(22-24)32-20-15-9-7-5-4-6-8-14-19-28(31)29-25-17-12-10-13-18-25/h10,12-13,17-18,21-23,30H,2-9,11,14-16,19-20H2,1H3,(H,29,31)
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PC cid
PC sid
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Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50055283
PNG
(CHEMBL3323685)
Show SMILES CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-11-16-24-21-26(30)23-27(22-24)32-20-15-9-7-5-4-6-8-14-19-28(31)29-25-17-12-10-13-18-25/h10,12-13,17-18,21-23,30H,2-9,11,14-16,19-20H2,1H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 701n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4770-83 (2014)


Article DOI: 10.1016/j.bmc.2014.07.006
BindingDB Entry DOI: 10.7270/Q2TH8PCG
More data for this
Ligand-Target Pair