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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 = 'BDBM50332881'   
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))
BDBM50332881
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCCCCO |(-3.67,-7.38,;-3.57,-8.93,;-4.76,-9.88,;-4.24,-11.31,;-2.7,-11.26,;-2.08,-12.19,;-2.28,-9.79,;-.87,-9.18,;-.32,-7.75,;-1.15,-6.44,;1.19,-7.82,;1.61,-9.29,;.34,-10.15,;.33,-11.7,;-1,-12.47,;-1,-14.01,;.34,-14.78,;.34,-16.32,;1.67,-14.01,;1.67,-12.46,;3.01,-11.68,;1.94,-6.45,;1.15,-5.15,;3.49,-6.42,;4.29,-7.73,;5.83,-7.68,;6.63,-9,;8.17,-8.96,;8.98,-10.28,;10.52,-10.24,)|
Show InChI InChI=1S/C22H26Cl2N4O2/c1-14-7-8-15(2)27(14)22-16(3)20(21(30)25-11-5-4-6-12-29)26-28(22)19-10-9-17(23)13-18(19)24/h7-10,13,29H,4-6,11-12H2,1-3H3,(H,25,30)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
3.20E+3n/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