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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 = 'BDBM50257702'   
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))		BDBM50257702
PNG
(CHEMBL4098592)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1CCCC#N |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/C23H27N3O/c24-7-3-4-8-26-20-6-2-1-5-19(20)12-21(26)22(27)25-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,5-6,12,16-18H,3-4,8-11,13-15H2,(H,25,27)
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Article
PubMed
n/an/an/an/a 270n/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