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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50257709'   
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))		BDBM50257709
PNG
(CHEMBL4102443)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CC1CCOCC1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C25H32N2O2/c28-24(26-25-13-18-9-19(14-25)11-20(10-18)15-25)23-12-21-3-1-2-4-22(21)27(23)16-17-5-7-29-8-6-17/h1-4,12,17-20H,5-11,13-16H2,(H,26,28)
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Article
PubMed
n/an/an/an/a 410n/an/an/an/a



Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...

J Med Chem 60: 7067-7083 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00724
BindingDB Entry DOI: 10.7270/Q20K2C17
More data for this
Ligand-Target Pair