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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 = 'BDBM50154638'   
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))
BDBM50154638
PNG
(CHEMBL3774721)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C25H33N5O2/c1-3-4-9-16-29-17-21(23(31)26-20-10-7-5-6-8-11-20)24(32)30-25(29)27-22(28-30)19-14-12-18(2)13-15-19/h12-15,17,20H,3-11,16H2,1-2H3,(H,26,31)
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PC sid
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Article
PubMed
22n/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))
BDBM50154638
PNG
(CHEMBL3774721)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C25H33N5O2/c1-3-4-9-16-29-17-21(23(31)26-20-10-7-5-6-8-11-20)24(32)30-25(29)27-22(28-30)19-14-12-18(2)13-15-19/h12-15,17,20H,3-11,16H2,1-2H3,(H,26,31)
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PubMed
n/an/a 64n/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))
BDBM50154638
PNG
(CHEMBL3774721)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(nc12)-c1ccc(C)cc1
Show InChI InChI=1S/C25H33N5O2/c1-3-4-9-16-29-17-21(23(31)26-20-10-7-5-6-8-11-20)24(32)30-25(29)27-22(28-30)19-14-12-18(2)13-15-19/h12-15,17,20H,3-11,16H2,1-2H3,(H,26,31)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 393n/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