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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 = 'BDBM50072992'   
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))
BDBM50072992
PNG
(CHEMBL3410819)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)n(C)c12
Show InChI InChI=1S/C25H28N2O6/c1-4-5-6-11-31-23-20(30-3)10-8-17-13-18(25(29)27(2)22(17)23)24(28)26-14-16-7-9-19-21(12-16)33-15-32-19/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,26,28)
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.220n/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))
BDBM50072992
PNG
(CHEMBL3410819)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)n(C)c12
Show InChI InChI=1S/C25H28N2O6/c1-4-5-6-11-31-23-20(30-3)10-8-17-13-18(25(29)27(2)22(17)23)24(28)26-14-16-7-9-19-21(12-16)33-15-32-19/h7-10,12-13H,4-6,11,14-15H2,1-3H3,(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.220n/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