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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 = 'BDBM50332258'   
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))
BDBM50332258
PNG
((E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid(2-hyd...)
Show SMILES C[C@@H](CO)NC(=O)CCCC(=O)C=Cc1ccc2ccccc2c1 |r,w:13.13|
Show InChI InChI=1S/C20H23NO3/c1-15(14-22)21-20(24)8-4-7-19(23)12-10-16-9-11-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-13,15,22H,4,7-8,14H2,1H3,(H,21,24)/t15-/m0/s1
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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))
BDBM50332258
PNG
((E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid(2-hyd...)
Show SMILES C[C@@H](CO)NC(=O)CCCC(=O)C=Cc1ccc2ccccc2c1 |r,w:13.13|
Show InChI InChI=1S/C20H23NO3/c1-15(14-22)21-20(24)8-4-7-19(23)12-10-16-9-11-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-13,15,22H,4,7-8,14H2,1H3,(H,21,24)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
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