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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 = 'BDBM50340319'   
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))
BDBM50340319
PNG
(CHEMBL1760939 | N-((1-(hydroxymethyl)cyclopentyl)m...)
Show SMILES OCC1(CNC(=O)c2nc(N3CCOCC3)n3ccccc23)CCCC1
Show InChI InChI=1S/C19H26N4O3/c24-14-19(6-2-3-7-19)13-20-17(25)16-15-5-1-4-8-23(15)18(21-16)22-9-11-26-12-10-22/h1,4-5,8,24H,2-3,6-7,9-14H2,(H,20,25)
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 21: 2354-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.082
BindingDB Entry DOI: 10.7270/Q2C829MB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50340319
PNG
(CHEMBL1760939 | N-((1-(hydroxymethyl)cyclopentyl)m...)
Show SMILES OCC1(CNC(=O)c2nc(N3CCOCC3)n3ccccc23)CCCC1
Show InChI InChI=1S/C19H26N4O3/c24-14-19(6-2-3-7-19)13-20-17(25)16-15-5-1-4-8-23(15)18(21-16)22-9-11-26-12-10-22/h1,4-5,8,24H,2-3,6-7,9-14H2,(H,20,25)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 21: 2354-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.082
BindingDB Entry DOI: 10.7270/Q2C829MB
More data for this
Ligand-Target Pair