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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 = 'BDBM50380898'   
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))
BDBM50380898
PNG
(CHEMBL2019085)
Show SMILES CCN1CCCC1Cn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C26H39N3O4/c1-2-28-16-10-12-20(28)18-29-22-13-7-4-3-6-11-19(22)17-21(24(29)31)23(30)27-26(25(32)33)14-8-5-9-15-26/h17,20H,2-16,18H2,1H3,(H,27,30)(H,32,33)
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Article
PubMed
2.11E+3n/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))
BDBM50380898
PNG
(CHEMBL2019085)
Show SMILES CCN1CCCC1Cn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C26H39N3O4/c1-2-28-16-10-12-20(28)18-29-22-13-7-4-3-6-11-19(22)17-21(24(29)31)23(30)27-26(25(32)33)14-8-5-9-15-26/h17,20H,2-16,18H2,1H3,(H,27,30)(H,32,33)
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PC cid
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Article
PubMed
2.11E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380898
PNG
(CHEMBL2019085)
Show SMILES CCN1CCCC1Cn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C26H39N3O4/c1-2-28-16-10-12-20(28)18-29-22-13-7-4-3-6-11-19(22)17-21(24(29)31)23(30)27-26(25(32)33)14-8-5-9-15-26/h17,20H,2-16,18H2,1H3,(H,27,30)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.11E+3n/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