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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 = 'BDBM50030063'   
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))
BDBM50030063
PNG
(CHEMBL3353435)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCC(O)=O)c1=O |(27.65,-13.43,;26.32,-14.2,;26.32,-15.74,;25,-16.52,;23.65,-15.74,;23.64,-14.21,;24.98,-13.44,;22.33,-16.52,;20.99,-15.76,;20.98,-14.22,;19.66,-16.54,;18.32,-15.78,;17,-16.55,;15.66,-15.79,;14.33,-16.56,;14.33,-18.1,;15.66,-18.87,;17,-18.1,;18.33,-18.86,;18.34,-20.4,;19.67,-21.17,;19.67,-22.71,;21.01,-23.48,;21.01,-25.02,;22.35,-25.78,;19.68,-25.79,;19.67,-18.09,;21,-18.85,)|
Show InChI InChI=1S/C21H27N3O4/c1-14-7-9-16(10-8-14)23-20(27)17-13-15-5-4-11-22-19(15)24(21(17)28)12-3-2-6-18(25)26/h4-5,11,13-14,16H,2-3,6-10,12H2,1H3,(H,23,27)(H,25,26)
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Similars

Article
PubMed
1.34E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...


J Med Chem 57: 8777-91 (2014)


Article DOI: 10.1021/jm500807e
BindingDB Entry DOI: 10.7270/Q2QC054S
More data for this
Ligand-Target Pair