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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 = 'BDBM50380887'   
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))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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PC cid
PC sid
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Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50380887
PNG
(CHEMBL2019083)
Show SMILES CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
Show InChI InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP release after 45 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair