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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 = 'BDBM50040985'   
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


(Rattus norvegicus (Rat))
BDBM50040985
PNG
(CHEMBL3354960)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CN1CCOCC1 |r|
Show InChI InChI=1S/C22H26F2N4O2/c1-22(2,12-27-5-7-30-8-6-27)25-21(29)19-16-10-13-9-15(13)20(16)28(26-19)18-4-3-14(23)11-17(18)24/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,25,29)/t13-,15-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2.90n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50040985
PNG
(CHEMBL3354960)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CN1CCOCC1 |r|
Show InChI InChI=1S/C22H26F2N4O2/c1-22(2,12-27-5-7-30-8-6-27)25-21(29)19-16-10-13-9-15(13)20(16)28(26-19)18-4-3-14(23)11-17(18)24/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,25,29)/t13-,15-/m1/s1
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.400n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair