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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 = 'BDBM50332879'   
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))
BDBM50332879
PNG
(CHEMBL1631167 | N-Butyl-1-(2,4-dichlorophenyl)-5-(...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(19.07,-3.28,;17.53,-3.31,;16.73,-1.97,;15.21,-1.99,;14.42,-.67,;12.88,-.7,;12.09,.63,;12.13,-2.03,;12.62,-3.47,;11.39,-4.39,;10.13,-3.5,;10.6,-2.04,;9.69,-.79,;8.67,-3.99,;8.21,-5.44,;9.11,-6.69,;6.66,-5.45,;6.18,-4,;7.4,-3.09,;7.39,-1.55,;11.41,-5.94,;10.08,-6.73,;10.1,-8.26,;11.44,-9.03,;11.45,-10.57,;12.77,-8.24,;12.75,-6.69,;14.07,-5.91,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-5-6-11-24-20(28)19-15(4)21(26-13(2)7-8-14(26)3)27(25-19)18-10-9-16(22)12-17(18)23/h7-10,12H,5-6,11H2,1-4H3,(H,24,28)
PDB

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PC cid
PC sid
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Article
PubMed
460n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair