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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50040969'   
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))
BDBM50040969
PNG
(CHEMBL3354976)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1cnccn1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C16H19N5O2/c1-16(2,8-22)19-15(23)13-11-6-9-5-10(9)14(11)21(20-13)12-7-17-3-4-18-12/h3-4,7,9-10,22H,5-6,8H2,1-2H3,(H,19,23)/t9-,10-/m1/s1
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n/an/an/an/a 25n/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
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50040969
PNG
(CHEMBL3354976)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1cnccn1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C16H19N5O2/c1-16(2,8-22)19-15(23)13-11-6-9-5-10(9)14(11)21(20-13)12-7-17-3-4-18-12/h3-4,7,9-10,22H,5-6,8H2,1-2H3,(H,19,23)/t9-,10-/m1/s1
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PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 320n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat CB2 receptor expressed in HEK293 cells assessed as increase in beta arrestin recruitment measured after 2 to 3 hr...


ACS Med Chem Lett 8: 1309-1313 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00396
BindingDB Entry DOI: 10.7270/Q25D8VCM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50040969
PNG
(CHEMBL3354976)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1cnccn1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C16H19N5O2/c1-16(2,8-22)19-15(23)13-11-6-9-5-10(9)14(11)21(20-13)12-7-17-3-4-18-12/h3-4,7,9-10,22H,5-6,8H2,1-2H3,(H,19,23)/t9-,10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/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