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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 = 'BDBM50464602'   
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))
BDBM50464602
PNG
(CHEMBL4286213)
Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3O)C(C)(C)Oc2c1 |t:10|
Show InChI InChI=1S/C22H32O4/c1-6-7-8-9-14-12-16(23)19-17(13-14)26-21(2,3)15-10-11-22(4,25-5)20(24)18(15)19/h12-13,20,23-24H,6-11H2,1-5H3
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50464602
PNG
(CHEMBL4286213)
Show SMILES CCCCCc1cc(O)c2C3=C(CCC(C)(OC)C3O)C(C)(C)Oc2c1 |t:10|
Show InChI InChI=1S/C22H32O4/c1-6-7-8-9-14-12-16(23)19-17(13-14)26-21(2,3)15-10-11-22(4,25-5)20(24)18(15)19/h12-13,20,23-24H,6-11H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 599n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human full length CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount method


Eur J Med Chem 143: 983-996 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.043
BindingDB Entry DOI: 10.7270/Q2D50QN8
More data for this
Ligand-Target Pair