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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 = 'BDBM50334575'   
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))
BDBM50334575
PNG
(6-(4-Chlorophenyl)-N3-cyclohexyl-4-oxo-1-pentyl-1,...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O2/c1-2-3-7-14-26-16-20(23(28)25-19-8-5-4-6-9-19)22(27)15-21(26)17-10-12-18(24)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,25,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
78n/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))
BDBM50334575
PNG
(6-(4-Chlorophenyl)-N3-cyclohexyl-4-oxo-1-pentyl-1,...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O2/c1-2-3-7-14-26-16-20(23(28)25-19-8-5-4-6-9-19)22(27)15-21(26)17-10-12-18(24)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 22n/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