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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 = 'BDBM50030076'   
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))
BDBM50030076
PNG
(CHEMBL3353433)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCC(O)=O)c1=O |(38.26,1.98,;36.93,1.2,;36.93,-.34,;35.6,-1.12,;34.26,-.34,;34.25,1.19,;35.59,1.97,;32.93,-1.12,;31.6,-.36,;31.59,1.19,;30.27,-1.14,;28.93,-.38,;27.6,-1.15,;26.27,-.39,;24.94,-1.16,;24.94,-2.7,;26.27,-3.47,;27.61,-2.7,;28.94,-3.46,;28.94,-5,;30.28,-5.77,;30.28,-7.31,;28.95,-8.09,;31.62,-8.08,;30.28,-2.69,;31.61,-3.45,)|
Show InChI InChI=1S/C19H23N3O4/c1-12-4-6-14(7-5-12)21-18(25)15-11-13-3-2-9-20-17(13)22(19(15)26)10-8-16(23)24/h2-3,9,11-12,14H,4-8,10H2,1H3,(H,21,25)(H,23,24)
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Similars

Article
PubMed
1.39E+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