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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 = 'BDBM50029966'   
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))
BDBM50029966
PNG
(CHEMBL3353423)
Show SMILES CCCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(4.05,-8.42,;2.72,-7.65,;2.72,-6.11,;1.38,-5.34,;1.38,-3.8,;.04,-3.04,;-1.31,-3.82,;-2.63,-3.05,;-2.63,-1.5,;-1.3,-.73,;.04,-1.49,;1.37,-.72,;2.7,-1.48,;4.03,-.7,;4.02,.84,;5.37,-1.46,;6.7,-.69,;8.04,-1.46,;9.37,-.69,;9.36,.86,;10.7,1.64,;8.03,1.63,;6.69,.85,;2.71,-3.03,;4.05,-3.8,)|
Show InChI InChI=1S/C20H27N3O2/c1-3-4-12-23-18-15(6-5-11-21-18)13-17(20(23)25)19(24)22-16-9-7-14(2)8-10-16/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,22,24)
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Similars

Article
PubMed
3.90n/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