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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50382738   
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))
BDBM50382738
PNG
(CHEMBL2023578)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C27H34N2O4/c30-25(28-17-19-12-14-21(15-13-19)27(32)33)23-16-22-10-6-1-2-7-11-24(22)29(26(23)31)18-20-8-4-3-5-9-20/h12-16,20H,1-11,17-18H2,(H,28,30)(H,32,33)
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Article
PubMed
923n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382738
PNG
(CHEMBL2023578)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C27H34N2O4/c30-25(28-17-19-12-14-21(15-13-19)27(32)33)23-16-22-10-6-1-2-7-11-24(22)29(26(23)31)18-20-8-4-3-5-9-20/h12-16,20H,1-11,17-18H2,(H,28,30)(H,32,33)
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923n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor membrane fractions


Bioorg Med Chem Lett 22: 2898-901 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.050
BindingDB Entry DOI: 10.7270/Q2Q81F30
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50382738
PNG
(CHEMBL2023578)
Show SMILES OC(=O)c1ccc(CNC(=O)c2cc3CCCCCCc3n(CC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C27H34N2O4/c30-25(28-17-19-12-14-21(15-13-19)27(32)33)23-16-22-10-6-1-2-7-11-24(22)29(26(23)31)18-20-8-4-3-5-9-20/h12-16,20H,1-11,17-18H2,(H,28,30)(H,32,33)
PDB

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PC sid
UniChem

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Article
PubMed
923n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair