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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 = 'BDBM50516296'   
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))
BDBM50516296
PNG
(CHEMBL4442586)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C36H25F4NO3/c1-43-31-12-8-25(9-13-31)36-34(32-4-2-3-5-33(32)44-36)35(42)24-6-10-30(11-7-24)41(20-22-14-26(37)18-27(38)15-22)21-23-16-28(39)19-29(40)17-23/h2-19H,20-21H2,1H3
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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))
BDBM50516296
PNG
(CHEMBL4442586)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C36H25F4NO3/c1-43-31-12-8-25(9-13-31)36-34(32-4-2-3-5-33(32)44-36)35(42)24-6-10-30(11-7-24)41(20-22-14-26(37)18-27(38)15-22)21-23-16-28(39)19-29(40)17-23/h2-19H,20-21H2,1H3
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