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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 = 'BDBM50491840'   
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))
BDBM50491840
PNG
(CHEMBL2387186)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h6-8,11-12,18H,2-5,9-10,13-17H2,1H3,(H,25,27)
PDB

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PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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


Bioorg Med Chem 21: 3154-63 (2013)


BindingDB Entry DOI: 10.7270/Q22R3VKX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50491840
PNG
(CHEMBL2387186)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C24H32N2O2/c1-2-3-17-26-22-14-10-5-4-9-13-20(22)18-21(24(26)28)23(27)25-16-15-19-11-7-6-8-12-19/h6-8,11-12,18H,2-5,9-10,13-17H2,1H3,(H,25,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production


Bioorg Med Chem 21: 3154-63 (2013)


BindingDB Entry DOI: 10.7270/Q22R3VKX
More data for this
Ligand-Target Pair