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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50213886'   
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


(MOUSE)
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
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4n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
PDB

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Article
PubMed
6n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 18: 6444-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair