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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 = 'BDBM50107603'   
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))
BDBM50107603
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid fu...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCc1ccoc1
Show InChI InChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-23-24-20-21-27-22-24/h6-7,9-10,12-13,15-16,20-22H,2-5,8,11,14,17-19,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 cannabinoid receptor using [3H]CP-55940 in HEK293 EBNA transfected cells


J Med Chem 44: 4505-8 (2001)


BindingDB Entry DOI: 10.7270/Q29G5NJ5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50107603
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid fu...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCc1ccoc1
Show InChI InChI=1S/C25H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-23-24-20-21-27-22-24/h6-7,9-10,12-13,15-16,20-22H,2-5,8,11,14,17-19,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity against G protein coupled human Cannabinoid receptor 2 using [3H]CP-55940 in HEK293 EBNA transfected cells


J Med Chem 46: 1512-22 (2003)


Article DOI: 10.1021/jm0210818
BindingDB Entry DOI: 10.7270/Q2GQ6ZHS
More data for this
Ligand-Target Pair