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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 = 'BDBM50029980'   
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))
BDBM50029980
PNG
(CHEMBL3353438)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCCF)c1=O |(16.3,-12.78,;14.97,-13.55,;14.97,-15.09,;13.65,-15.86,;12.31,-15.09,;12.3,-13.56,;13.63,-12.78,;10.98,-15.87,;9.64,-15.11,;9.63,-13.57,;8.31,-15.89,;6.97,-15.13,;5.65,-15.9,;4.31,-15.13,;2.98,-15.91,;2.98,-17.45,;4.32,-18.22,;5.65,-17.44,;6.98,-18.21,;6.99,-19.75,;8.32,-20.52,;8.33,-22.06,;9.66,-22.82,;9.66,-24.36,;11,-25.13,;11,-26.67,;8.32,-17.43,;9.66,-18.2,)|
Show InChI InChI=1S/C22H30FN3O2/c1-16-8-10-18(11-9-16)25-21(27)19-15-17-7-6-13-24-20(17)26(22(19)28)14-5-3-2-4-12-23/h6-7,13,15-16,18H,2-5,8-12,14H2,1H3,(H,25,27)
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Article
PubMed
1.5n/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