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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 = 'BDBM50332245'   
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))
BDBM50332245
PNG
((E)-6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid ...)
Show SMILES COc1ccc(C=CC(=O)CCC(=O)NCCO)cc1OC |w:6.5|
Show InChI InChI=1S/C16H21NO5/c1-21-14-7-4-12(11-15(14)22-2)3-5-13(19)6-8-16(20)17-9-10-18/h3-5,7,11,18H,6,8-10H2,1-2H3,(H,17,20)
PDB

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KEGG

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GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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))
BDBM50332245
PNG
((E)-6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid ...)
Show SMILES COc1ccc(C=CC(=O)CCC(=O)NCCO)cc1OC |w:6.5|
Show InChI InChI=1S/C16H21NO5/c1-21-14-7-4-12(11-15(14)22-2)3-5-13(19)6-8-16(20)17-9-10-18/h3-5,7,11,18H,6,8-10H2,1-2H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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