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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 = 'BDBM50516294'   
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))
BDBM50516294
PNG
(CHEMBL4539701)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C35H35NO4/c1-36(25-26-11-5-3-6-12-26)23-9-4-10-24-39-30-21-15-27(16-22-30)34(37)33-31-13-7-8-14-32(31)40-35(33)28-17-19-29(38-2)20-18-28/h3,5-8,11-22H,4,9-10,23-25H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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))
BDBM50516294
PNG
(CHEMBL4539701)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C35H35NO4/c1-36(25-26-11-5-3-6-12-26)23-9-4-10-24-39-30-21-15-27(16-22-30)34(37)33-31-13-7-8-14-32(31)40-35(33)28-17-19-29(38-2)20-18-28/h3,5-8,11-22H,4,9-10,23-25H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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