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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 = 'BDBM50198694'   
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))		BDBM50198694
PNG
(CHEMBL3914883)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(Cl)cn1)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C28H24Cl3N5O/c1-17(24-8-4-5-13-32-24)34-28(37)26-22-7-3-2-6-18(14-21-11-9-20(30)16-33-21)27(22)36(35-26)25-12-10-19(29)15-23(25)31/h4-5,8-17H,2-3,6-7H2,1H3,(H,34,37)/b18-14+/t17-/m1/s1
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Article
PubMed
n/an/an/an/a 560n/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