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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 = 'BDBM50426097'   
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))
BDBM50426097
PNG
(CHEMBL2316270)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(nn(C)c12)C(C)(C)C
Show InChI InChI=1S/C23H36N4O2/c1-6-7-11-14-27-15-17(21(29)24-16-12-9-8-10-13-16)19(28)18-20(23(2,3)4)25-26(5)22(18)27/h15-16H,6-14H2,1-5H3,(H,24,29)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.53E+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))
BDBM50426097
PNG
(CHEMBL2316270)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(nn(C)c12)C(C)(C)C
Show InChI InChI=1S/C23H36N4O2/c1-6-7-11-14-27-15-17(21(29)24-16-12-9-8-10-13-16)19(28)18-20(23(2,3)4)25-26(5)22(18)27/h15-16H,6-14H2,1-5H3,(H,24,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.03E+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