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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 = 'BDBM50387883'   
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))
BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins


J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 8.10n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgamma binding after 30 mins by scintillation proximi...


J Med Chem 56: 5722-33 (2013)


Article DOI: 10.1021/jm400305d
BindingDB Entry DOI: 10.7270/Q2BR8W4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 8.10n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]-GTPgammaS binding assay


Bioorg Med Chem Lett 24: 5572-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.006
BindingDB Entry DOI: 10.7270/Q2R78GVW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50387883
PNG
(CHEMBL2057801)
Show SMILES CN1CCN(CC1)c1nc(C)nc2n(CCO)c(nc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H23ClN6O/c1-13-21-18(25-9-7-24(2)8-10-25)16-19(22-13)26(11-12-27)17(23-16)14-5-3-4-6-15(14)20/h3-6,27H,7-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.10n/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