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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 = 'BDBM50095849'   
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))
BDBM50095849
PNG
(CHEMBL3590625)
Show SMILES CCCCN1C(=O)\C(=C\NN2CCCCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C20H26N6O4/c21-17-13-18(23-6-22-17)26(7-24-13)20-15(28)14(27)16(30-20)19(29)25-12-10-2-8-1-9(4-10)5-11(12)3-8/h6-12,14-16,20,27-28H,1-5H2,(H,25,29)(H2,21,22,23)/t8?,9?,10?,11?,12?,14?,15?,16-,20+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 993n/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))
BDBM50095849
PNG
(CHEMBL3590625)
Show SMILES CCCCN1C(=O)\C(=C\NN2CCCCC2)C(=O)c2cccc(C)c12
Show InChI InChI=1S/C20H26N6O4/c21-17-13-18(23-6-22-17)26(7-24-13)20-15(28)14(27)16(30-20)19(29)25-12-10-2-8-1-9(4-10)5-11(12)3-8/h6-12,14-16,20,27-28H,1-5H2,(H,25,29)(H2,21,22,23)/t8?,9?,10?,11?,12?,14?,15?,16-,20+/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 993n/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