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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 = 'BDBM50222805'   
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))
BDBM50222805
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222805
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
BindingDB Entry DOI: 10.7270/Q2TH8MD3
More data for this
Ligand-Target Pair