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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 = 'BDBM50257673'   
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))		BDBM50257673
PNG
(CHEMBL4087526)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCCC#N)c2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C23H27N3O/c24-7-3-4-8-26-15-20(19-5-1-2-6-21(19)26)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-2,5-6,15-18H,3-4,8-14H2,(H,25,27)
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Similars
Article
PubMed
n/an/an/an/a 31n/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