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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50180021'   
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))
BDBM50180021
PNG
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
37.1n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180021
PNG
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16.8n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC
More data for this
Ligand-Target Pair