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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 = 'BDBM50332256'   
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))
BDBM50332256
PNG
((E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid cyclo...)
Show SMILES O=C(CCCC(=O)C=Cc1ccc2ccccc2c1)NC1CC1 |w:8.8|
Show InChI InChI=1S/C20H21NO2/c22-19(6-3-7-20(23)21-18-11-12-18)13-9-15-8-10-16-4-1-2-5-17(16)14-15/h1-2,4-5,8-10,13-14,18H,3,6-7,11-12H2,(H,21,23)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.04E+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))
BDBM50332256
PNG
((E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid cyclo...)
Show SMILES O=C(CCCC(=O)C=Cc1ccc2ccccc2c1)NC1CC1 |w:8.8|
Show InChI InChI=1S/C20H21NO2/c22-19(6-3-7-20(23)21-18-11-12-18)13-9-15-8-10-16-4-1-2-5-17(16)14-15/h1-2,4-5,8-10,13-14,18H,3,6-7,11-12H2,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.02E+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