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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 = 'BDBM50154619'   
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))
BDBM50154619
PNG
(CHEMBL3775966)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H29N5O2/c1-2-3-10-15-27-16-19(21(29)24-18-13-8-5-9-14-18)22(30)28-23(27)25-20(26-28)17-11-6-4-7-12-17/h4,6-7,11-12,16,18H,2-3,5,8-10,13-15H2,1H3,(H,24,29)
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PC sid
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Article
PubMed
43n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50154619
PNG
(CHEMBL3775966)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H29N5O2/c1-2-3-10-15-27-16-19(21(29)24-18-13-8-5-9-14-18)22(30)28-23(27)25-20(26-28)17-11-6-4-7-12-17/h4,6-7,11-12,16,18H,2-3,5,8-10,13-15H2,1H3,(H,24,29)
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PC sid
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Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of WIN 55,212-2 mediated suppression of forksolin induced c...


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50154619
PNG
(CHEMBL3775966)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(nc12)-c1ccccc1
Show InChI InChI=1S/C23H29N5O2/c1-2-3-10-15-27-16-19(21(29)24-18-13-8-5-9-14-18)22(30)28-23(27)25-20(26-28)17-11-6-4-7-12-17/h4,6-7,11-12,16,18H,2-3,5,8-10,13-15H2,1H3,(H,24,29)
PDB

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KEGG

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GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 756n/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor transfected in CHO cells assessed as increase in forksolin stimulated cAMP production by scintillation...


Eur J Med Chem 113: 11-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.032
BindingDB Entry DOI: 10.7270/Q21J9CPC
More data for this
Ligand-Target Pair