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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 = 'BDBM50334572'   
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))
BDBM50334572
PNG
(4-Oxo-1-pentyl-6-phenyl-N3-(piperidin-1-yl)-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-8-13-24-17-19(22(27)23-25-14-9-5-10-15-25)21(26)16-20(24)18-11-6-4-7-12-18/h4,6-7,11-12,16-17H,2-3,5,8-10,13-15H2,1H3,(H,23,27)
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PC cid
PC sid
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Similars

Article
PubMed
92n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334572
PNG
(4-Oxo-1-pentyl-6-phenyl-N3-(piperidin-1-yl)-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-8-13-24-17-19(22(27)23-25-14-9-5-10-15-25)21(26)16-20(24)18-11-6-4-7-12-18/h4,6-7,11-12,16-17H,2-3,5,8-10,13-15H2,1H3,(H,23,27)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair