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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50326618'   
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))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
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0.640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
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0.640n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Binding affinity to human cannabinoid CB2 receptor


Bioorg Med Chem 21: 7481-98 (2013)


Article DOI: 10.1016/j.bmc.2013.09.040
BindingDB Entry DOI: 10.7270/Q2Q2435T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
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0.640n/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 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))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
PDB

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0.700n/an/an/an/an/an/an/an/a



Johns Hopkins Medical Institutions

Curated by ChEMBL


Assay Description
Agonist activity at CB2 receptor


Bioorg Med Chem 18: 5202-7 (2010)


Article DOI: 10.1016/j.bmc.2010.05.058
BindingDB Entry DOI: 10.7270/Q2668F56
More data for this
Ligand-Target Pair