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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 = 'BDBM50198725'   
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))		BDBM50198725
PNG
(CHEMBL3911571)
Show SMILES COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)c2cc[nH]n2)cc1 |r|
Show InChI InChI=1S/C33H28Cl2N6O3/c1-20(22-6-4-3-5-7-22)37-32(42)30-26-19-40(33(43)28-14-15-36-38-28)18-23(16-21-8-11-25(44-2)12-9-21)31(26)41(39-30)29-13-10-24(34)17-27(29)35/h3-17,20H,18-19H2,1-2H3,(H,36,38)(H,37,42)/b23-16+/t20-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 4.66E+3n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB2 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...

Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair