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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50556536'   
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))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

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UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 81n/an/an/an/a


TBA

Assay Description
Competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as rightward shift of N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 103n/an/an/an/a


TBA

Assay Description
Non-competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-6-methyl-2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 711n/an/an/an/a


TBA

Assay Description
Competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as rightward shift of N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 102n/an/an/an/a


TBA

Assay Description
Non-competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-6-methyl-2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 62n/an/an/an/a


TBA

Assay Description
Non-competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as N-cycloheptyl-1,2-dihydro-1-(4-fluorobenzyl)-6-methyl-2...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a


TBA

Assay Description
Antagonist activity at human CB2R expressed in CHO cell membranes preincubated for 30 mins followed by GTPgammaS addition and measured after 90 mins ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50556536
PNG
(CHEMBL4781965)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 192n/an/an/an/a


TBA

Assay Description
Competitive antagonist activity at human CB2R expressed in CHO cell membranes assessed as rightward shift of N-cycloheptyl-1,2-dihydro-5-bromo-1-(4-f...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112858
BindingDB Entry DOI: 10.7270/Q2SQ943D
More data for this
Ligand-Target Pair