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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50398220'   
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))
BDBM50398220
PNG
(CHEMBL2181540)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C25H30O4/c1-4-5-6-9-12-25(2,3)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-10-7-8-11-21(17)26/h7-8,10-11,14-16,26-27H,4-6,9,12-13H2,1-3H3
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Article
PubMed
210n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter


J Med Chem 55: 7967-77 (2012)


Article DOI: 10.1021/jm3008213
BindingDB Entry DOI: 10.7270/Q2JM2BRJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50398220
PNG
(CHEMBL2181540)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C25H30O4/c1-4-5-6-9-12-25(2,3)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-10-7-8-11-21(17)26/h7-8,10-11,14-16,26-27H,4-6,9,12-13H2,1-3H3
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Article
PubMed
210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO-K1 cell membrane measured after 3 hrs by scintillation spectrometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113354
BindingDB Entry DOI: 10.7270/Q2222ZMB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50398220
PNG
(CHEMBL2181540)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
Show InChI InChI=1S/C25H30O4/c1-4-5-6-9-12-25(2,3)19-15-22(27)20-14-18(24(28)29-23(20)16-19)13-17-10-7-8-11-21(17)26/h7-8,10-11,14-16,26-27H,4-6,9,12-13H2,1-3H3
PDB

Reactome pathway
KEGG

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 54n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation using [3H]-cAMP after ...


J Med Chem 55: 7967-77 (2012)


Article DOI: 10.1021/jm3008213
BindingDB Entry DOI: 10.7270/Q2JM2BRJ
More data for this
Ligand-Target Pair