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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 = 'BDBM50198698'   
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))		BDBM50198698
PNG
(CHEMBL3984304)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C26H21Cl3N4OS/c1-15(21-7-2-3-12-30-21)31-26(34)24-19-6-4-5-16(13-18-9-11-23(29)35-18)25(19)33(32-24)22-10-8-17(27)14-20(22)28/h2-3,7-15H,4-6H2,1H3,(H,31,34)/b16-13+/t15-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 3.82E+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