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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 = 'BDBM50395160'   
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))
BDBM50395160
PNG
(CHEMBL2163938)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(C)(CC(C)(C4)C1)C2)c3=O |TLB:27:25:29:21.20.19,27:20:24.25.28:29,26:25:29:21.20.19,THB:19:20:24:28.18.29,19:18:24:21.27.20|
Show InChI InChI=1S/C27H34N2O3/c1-4-6-18-13-32-21-8-5-7-19-22(21)29(18)12-20(23(19)30)24(31)28-27-11-17-9-25(2,15-27)14-26(3,10-17)16-27/h5,7-8,12,17-18H,4,6,9-11,13-16H2,1-3H3,(H,28,31)
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Article
PubMed
3.62n/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))
BDBM50395160
PNG
(CHEMBL2163938)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(C)(CC(C)(C4)C1)C2)c3=O |TLB:27:25:29:21.20.19,27:20:24.25.28:29,26:25:29:21.20.19,THB:19:20:24:28.18.29,19:18:24:21.27.20|
Show InChI InChI=1S/C27H34N2O3/c1-4-6-18-13-32-21-8-5-7-19-22(21)29(18)12-20(23(19)30)24(31)28-27-11-17-9-25(2,15-27)14-26(3,10-17)16-27/h5,7-8,12,17-18H,4,6,9-11,13-16H2,1-3H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.7n/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))
BDBM50395160
PNG
(CHEMBL2163938)
Show SMILES CCCC1COc2cccc3c2n1cc(C(=O)NC12CC4CC(C)(CC(C)(C4)C1)C2)c3=O |TLB:27:25:29:21.20.19,27:20:24.25.28:29,26:25:29:21.20.19,THB:19:20:24:28.18.29,19:18:24:21.27.20|
Show InChI InChI=1S/C27H34N2O3/c1-4-6-18-13-32-21-8-5-7-19-22(21)29(18)12-20(23(19)30)24(31)28-27-11-17-9-25(2,15-27)14-26(3,10-17)16-27/h5,7-8,12,17-18H,4,6,9-11,13-16H2,1-3H3,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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