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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 = 'BDBM50426090'   
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))
BDBM50426090
PNG
(CHEMBL2316277)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(nn(C)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31ClN4O2/c1-3-4-8-15-30-16-20(24(32)27-19-9-6-5-7-10-19)23(31)21-22(28-29(2)25(21)30)17-11-13-18(26)14-12-17/h11-14,16,19H,3-10,15H2,1-2H3,(H,27,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.62E+3n/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))
BDBM50426090
PNG
(CHEMBL2316277)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(nn(C)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H31ClN4O2/c1-3-4-8-15-30-16-20(24(32)27-19-9-6-5-7-10-19)23(31)21-22(28-29(2)25(21)30)17-11-13-18(26)14-12-17/h11-14,16,19H,3-10,15H2,1-2H3,(H,27,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.02E+3n/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