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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 = 'BDBM50303581'   
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))
BDBM50303581
PNG
((trans-4-Ethylcyclohexyl)(1-(2-morpholinoethyl)-1H...)
Show SMILES CC[C@H]1CC[C@@H](CC1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1/C23H32N2O2/c1-2-18-7-9-19(10-8-18)23(26)21-17-25(22-6-4-3-5-20(21)22)12-11-24-13-15-27-16-14-24/h3-6,17-19H,2,7-16H2,1H3/t18-,19-
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Article
PubMed
16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303581
PNG
((trans-4-Ethylcyclohexyl)(1-(2-morpholinoethyl)-1H...)
Show SMILES CC[C@H]1CC[C@@H](CC1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1/C23H32N2O2/c1-2-18-7-9-19(10-8-18)23(26)21-17-25(22-6-4-3-5-20(21)22)12-11-24-13-15-27-16-14-24/h3-6,17-19H,2,7-16H2,1H3/t18-,19-
PDB

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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303581
PNG
((trans-4-Ethylcyclohexyl)(1-(2-morpholinoethyl)-1H...)
Show SMILES CC[C@H]1CC[C@@H](CC1)C(=O)c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1/C23H32N2O2/c1-2-18-7-9-19(10-8-18)23(26)21-17-25(22-6-4-3-5-20(21)22)12-11-24-13-15-27-16-14-24/h3-6,17-19H,2,7-16H2,1H3/t18-,19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 85n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair