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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 = 'BDBM50516297'   
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))
BDBM50516297
PNG
(CHEMBL4537149)
Show SMILES COc1ccc(CNc2ccc(cc2)C(=O)c2c(oc3ccccc23)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C30H25NO4/c1-33-24-15-7-20(8-16-24)19-31-23-13-9-21(10-14-23)29(32)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18,31H,19H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516297
PNG
(CHEMBL4537149)
Show SMILES COc1ccc(CNc2ccc(cc2)C(=O)c2c(oc3ccccc23)-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C30H25NO4/c1-33-24-15-7-20(8-16-24)19-31-23-13-9-21(10-14-23)29(32)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18,31H,19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.86E+3n/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair