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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 = 'BDBM50072966'   
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))
BDBM50072966
PNG
(CHEMBL3410816)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(OC)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O6/c1-4-5-6-13-33-23-20(31-2)10-8-17-15-18(25(30)27-22(17)23)24(29)26-12-11-16-7-9-19(28)21(14-16)32-3/h7-10,14-15,28H,4-6,11-13H2,1-3H3,(H,26,29)(H,27,30)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.970n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072966
PNG
(CHEMBL3410816)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)c(OC)c3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O6/c1-4-5-6-13-33-23-20(31-2)10-8-17-15-18(25(30)27-22(17)23)24(29)26-12-11-16-7-9-19(28)21(14-16)32-3/h7-10,14-15,28H,4-6,11-13H2,1-3H3,(H,26,29)(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.971n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair