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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 = 'BDBM50222790'   
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))
BDBM50222790
PNG
((4-allyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C25H33N3O/c1-3-12-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h3,8-9,15,18,20H,1,4-7,10-14,16-17H2,2H3
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PC cid
PC sid
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Similars

Article
PubMed
23.3n/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))
BDBM50222790
PNG
((4-allyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C25H33N3O/c1-3-12-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h3,8-9,15,18,20H,1,4-7,10-14,16-17H2,2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/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