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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 = 'BDBM50395155'   
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))
BDBM50395155
PNG
(CHEMBL2163943)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2C(COc3cccc(c23)c1=O)C1CC1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C25H28N2O3/c28-23-18-2-1-3-21-22(18)27(20(13-30-21)17-4-5-17)12-19(23)24(29)26-25-9-14-6-15(10-25)8-16(7-14)11-25/h1-3,12,14-17,20H,4-11,13H2,(H,26,29)
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Article
PubMed
8.92n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50395155
PNG
(CHEMBL2163943)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2C(COc3cccc(c23)c1=O)C1CC1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C25H28N2O3/c28-23-18-2-1-3-21-22(18)27(20(13-30-21)17-4-5-17)12-19(23)24(29)26-25-9-14-6-15(10-25)8-16(7-14)11-25/h1-3,12,14-17,20H,4-11,13H2,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.3n/an/an/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50395155
PNG
(CHEMBL2163943)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2C(COc3cccc(c23)c1=O)C1CC1 |THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C25H28N2O3/c28-23-18-2-1-3-21-22(18)27(20(13-30-21)17-4-5-17)12-19(23)24(29)26-25-9-14-6-15(10-25)8-16(7-14)11-25/h1-3,12,14-17,20H,4-11,13H2,(H,26,29)
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation


J Med Chem 55: 6608-23 (2012)


Article DOI: 10.1021/jm300763w
BindingDB Entry DOI: 10.7270/Q2WS8VCX
More data for this
Ligand-Target Pair