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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50332260'   
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))
BDBM50332260
PNG
((E)-6-Biphenyl-4-yl-4-oxohexanoic acid ethanolamid...)
Show SMILES OCCNC(=O)CCC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-15-14-21-20(24)13-12-19(23)11-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,22H,8,11-15H2,(H,21,24)
PDB

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KEGG

UniProtKB/SwissProt
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GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.25E+3n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332260
PNG
((E)-6-Biphenyl-4-yl-4-oxohexanoic acid ethanolamid...)
Show SMILES OCCNC(=O)CCC(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H23NO3/c22-15-14-21-20(24)13-12-19(23)11-8-16-6-9-18(10-7-16)17-4-2-1-3-5-17/h1-7,9-10,22H,8,11-15H2,(H,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.85E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair