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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 = 'BDBM50198704'   
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))
BDBM50198704
PNG
(CHEMBL3964744)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C27H23Cl3N4OS/c1-16(22-8-4-5-13-31-22)32-27(35)25-20-7-3-2-6-17(14-19-10-12-24(30)36-19)26(20)34(33-25)23-11-9-18(28)15-21(23)29/h4-5,8-16H,2-3,6-7H2,1H3,(H,32,35)/b17-14+/t16-/m1/s1
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Similars

Article
PubMed
n/an/an/an/a 9.41E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...


Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair