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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50016547   
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))
BDBM50170333
PNG
(2-(3-Methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-et...)
Show SMILES CCCCCn1cc(C(=O)Cc2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 24.4n/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding at CB2 receptor in presence of 3 uM CP-55,940


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50170339
PNG
(1-(1-Pentyl-1H-indol-3-yl)-2-o-tolyl-ethanone | 1-...)
Show SMILES CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc12
Show InChI InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 8.30n/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of [35S]-GTP-gammaS, binding at CB2 receptor in presence of 3 uM CP-55,940


Bioorg Med Chem Lett 15: 4110-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.008
BindingDB Entry DOI: 10.7270/Q2KD1XGV
More data for this
Ligand-Target Pair