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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 = 'BDBM50271285'   
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))
BDBM50271285
PNG
(1,5-bis(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-6.35,.25,;-5.2,-.78,;-3.69,-.45,;-2.91,-1.78,;-3.94,-2.93,;-5.35,-2.31,;-6.68,-3.08,;-6.67,-4.63,;-8.02,-5.4,;-9.35,-4.63,;-10.68,-5.4,;-9.35,-3.09,;-8.02,-2.32,;-8.03,-.78,;-3.61,-4.43,;-4.75,-5.47,;-4.43,-6.97,;-2.96,-7.44,;-2.63,-8.95,;-1.82,-6.4,;-2.15,-4.9,;-1.01,-3.86,;-3.07,.96,;-3.98,2.2,;-1.54,1.13,;-.92,2.54,;.62,2.7,;1.24,4.09,;.33,5.34,;-1.2,5.18,;-1.83,3.77,)|
Show InChI InChI=1S/C22H20Cl4N4O/c1-13-20(22(31)28-29-9-3-2-4-10-29)27-30(19-8-6-15(24)12-18(19)26)21(13)16-7-5-14(23)11-17(16)25/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
PDB

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PC cid
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Similars

Article
PubMed
1.04E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair