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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 = 'BDBM50392310'   
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))
BDBM50392310
PNG
(CHEMBL2153771)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)N[C@@H](C)C(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C30H32Cl2N6O4S/c1-18(2)26(29(40)34-19(3)28(33)39)35-30(37-43(41,42)24-15-13-23(32)14-16-24)38-17-25(20-7-5-4-6-8-20)27(36-38)21-9-11-22(31)12-10-21/h4-16,18-19,25-26H,17H2,1-3H3,(H2,33,39)(H,34,40)(H,35,37)/t19-,25?,26-/m0/s1
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Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB2 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
BindingDB Entry DOI: 10.7270/Q2BV7HR2
More data for this
Ligand-Target Pair