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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 = 'BDBM50029971'   
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))
BDBM50029971
PNG
(CHEMBL3353428)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCO)c1=O |(37.61,-9.32,;36.28,-10.09,;36.28,-11.63,;34.96,-12.4,;33.62,-11.63,;33.61,-10.1,;34.94,-9.32,;32.29,-12.41,;30.95,-11.65,;30.94,-10.11,;29.62,-12.42,;28.28,-11.66,;26.96,-12.44,;25.62,-11.67,;24.29,-12.44,;24.29,-13.99,;25.63,-14.76,;26.96,-13.98,;28.3,-14.75,;28.3,-16.29,;26.97,-17.06,;25.63,-16.29,;24.3,-17.07,;22.96,-16.3,;21.63,-17.07,;29.63,-13.97,;30.97,-14.74,)|
Show InChI InChI=1S/C21H29N3O3/c1-15-7-9-17(10-8-15)23-20(26)18-14-16-6-5-11-22-19(16)24(21(18)27)12-3-2-4-13-25/h5-6,11,14-15,17,25H,2-4,7-10,12-13H2,1H3,(H,23,26)
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Similars

Article
PubMed
3.60n/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