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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 = 'BDBM50348136'   
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))
BDBM50348136
PNG
(CHEMBL1800182)
Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r|
Show InChI InChI=1S/C38H62N4O6S/c1-31(29-43)40-35(45)25-17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-22-28-48-36(46)26-18-16-21-27-39-34(44)24-20-19-23-33-37-32(30-49-33)41-38(47)42-37/h3-6,9-12,31-33,37,43H,2,7-8,13-30H2,1H3,(H,39,44)(H,40,45)(H2,41,42,47)/b5-3-,6-4-,11-9-,12-10-/t31-,32+,33+,37+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK-293-EBNA cell membranes after 90 mins by scintillation counting


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair