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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 = 'BDBM50040960'   
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))
BDBM50040960
PNG
(CHEMBL3354956)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C22H19F2N3O2/c23-14-6-7-19(17(24)10-14)27-21-15-8-13(15)9-16(21)20(26-27)22(29)25-18(11-28)12-4-2-1-3-5-12/h1-7,10,13,15,18,28H,8-9,11H2,(H,25,29)/t13-,15-,18-/m1/s1
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Article
PubMed
n/an/an/an/a 69n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inverse 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))
BDBM50040960
PNG
(CHEMBL3354956)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)N[C@H](CO)c1ccccc1 |r|
Show InChI InChI=1S/C22H19F2N3O2/c23-14-6-7-19(17(24)10-14)27-21-15-8-13(15)9-16(21)20(26-27)22(29)25-18(11-28)12-4-2-1-3-5-12/h1-7,10,13,15,18,28H,8-9,11H2,(H,25,29)/t13-,15-,18-/m1/s1
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GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 39n/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