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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 = 'BDBM50387877'   
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


(Rattus norvegicus (Rat))
BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
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PC sid
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Article
PubMed
16n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from rat CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
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PC sid
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Article
PubMed
82n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387877
PNG
(CHEMBL2057795)
Show SMILES CCN1CCN(CC1)c1nc(C)nc2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H22N4S/c1-3-22-9-11-23(12-10-22)18-16-13-17(15-7-5-4-6-8-15)24-19(16)21-14(2)20-18/h4-8,13H,3,9-12H2,1-2H3
PDB

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KEGG

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UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
n/an/an/an/a 24.8n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as [35S]-GTPgammaS binding preincubated for 25 mins measured after 30 mins by ...


Bioorg Med Chem Lett 22: 4962-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.035
BindingDB Entry DOI: 10.7270/Q2Z60Q3D
More data for this
Ligand-Target Pair