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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 = 'BDBM50426091'   
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))
BDBM50426091
PNG
(CHEMBL2316276)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(nn(C)c12)-c1ccccc1
Show InChI InChI=1S/C26H34N4O2/c1-3-4-12-17-30-18-21(25(32)27-20-15-10-5-6-11-16-20)24(31)22-23(28-29(2)26(22)30)19-13-8-7-9-14-19/h7-9,13-14,18,20H,3-6,10-12,15-17H2,1-2H3,(H,27,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50426091
PNG
(CHEMBL2316276)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(nn(C)c12)-c1ccccc1
Show InChI InChI=1S/C26H34N4O2/c1-3-4-12-17-30-18-21(25(32)27-20-15-10-5-6-11-16-20)24(31)22-23(28-29(2)26(22)30)19-13-8-7-9-14-19/h7-9,13-14,18,20H,3-6,10-12,15-17H2,1-2H3,(H,27,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from Sprague-Dawley rat spleen CB2 receptor by scintillation counting analysis


J Med Chem 56: 1098-112 (2013)


Article DOI: 10.1021/jm301527r
BindingDB Entry DOI: 10.7270/Q20P11C7
More data for this
Ligand-Target Pair