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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 = 'BDBM50198729'   
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))		BDBM50198729
PNG
(CHEMBL3932505)
Show SMILES COc1ccc(\C=C2/CN(Cc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)N[C@H](C)c2ccccc2)C(=O)c2nc[nH]n2)cc1 |r|
Show InChI InChI=1S/C32H27Cl2N7O3/c1-19(21-6-4-3-5-7-21)37-31(42)28-25-17-40(32(43)30-35-18-36-38-30)16-22(14-20-8-11-24(44-2)12-9-20)29(25)41(39-28)27-13-10-23(33)15-26(27)34/h3-15,18-19H,16-17H2,1-2H3,(H,37,42)(H,35,36,38)/b22-14+/t19-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.76E+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