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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 = 'BDBM50048486'   
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))		BDBM50048486
PNG
(CHEMBL3310167)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCN(C)CCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
Show InChI InChI=1S/C51H67N7O4/c1-8-61-42-18-12-38(13-19-42)32-48-54-44-34-40(16-22-46(44)57(48)30-24-36(3)4)50(59)52-26-10-28-56(7)29-11-27-53-51(60)41-17-23-47-45(35-41)55-49(58(47)31-25-37(5)6)33-39-14-20-43(21-15-39)62-9-2/h12-23,34-37H,8-11,24-33H2,1-7H3,(H,52,59)(H,53,60)
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Article
PubMed
n/an/an/an/a 2.88E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP ...

Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair