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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50532442'   
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))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
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13n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
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13n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
PDB

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n/an/a 4.20n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation after 60 m...


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
PDB

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PC sid
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n/an/a 4.20n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP accumulation after 60 m...


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
PDB

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KEGG

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MCE
PC cid
PC sid
UniChem
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PubMed
n/an/an/an/a 39n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding after 60 mins by liquid sc...


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 39n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in HEK293 cell membranes assessed as induction of [35S]-GTPgammaS binding after 60 mins by liquid sc...


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair