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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 = 'BDBM50431425'   
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))
BDBM50431425
PNG
(CHEMBL2348281)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C22H24N2O2/c1-4-5-12-24-16(3)15(2)13-20(22(24)26)23-21(25)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,25)
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PC cid
PC sid
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Similars

Article
PubMed
768n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50431425
PNG
(CHEMBL2348281)
Show SMILES CCCCn1c(C)c(C)cc(NC(=O)c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C22H24N2O2/c1-4-5-12-24-16(3)15(2)13-20(22(24)26)23-21(25)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Displacement of [H3]-CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem 21: 2045-55 (2013)


Article DOI: 10.1016/j.bmc.2013.01.006
BindingDB Entry DOI: 10.7270/Q2PG1T2V
More data for this
Ligand-Target Pair