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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 = 'BDBM50095867'   
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))
BDBM50095867
PNG
(CHEMBL3590639)
Show SMILES Cc1cccc2C(=O)\C(=C/NC(C)(C)C)C(=O)N(CCC=C)c12
Show InChI InChI=1S/C14H20N6O4/c1-14(2,3)19-12(23)9-7(21)8(22)13(24-9)20-5-18-6-10(15)16-4-17-11(6)20/h4-5,7-9,13,21-22H,1-3H3,(H,19,23)(H2,15,16,17)/t7?,8?,9-,13+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50095867
PNG
(CHEMBL3590639)
Show SMILES Cc1cccc2C(=O)\C(=C/NC(C)(C)C)C(=O)N(CCC=C)c12
Show InChI InChI=1S/C14H20N6O4/c1-14(2,3)19-12(23)9-7(21)8(22)13(24-9)20-5-18-6-10(15)16-4-17-11(6)20/h4-5,7-9,13,21-22H,1-3H3,(H,19,23)(H2,15,16,17)/t7?,8?,9-,13+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as increase in intracellular calcium level by microplate read...


J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair