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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50248604'   
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))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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US Patent
2.94 -49.5n/an/an/an/an/an/a30



The University of Tennessee Research Foundation

US Patent


Assay Description
Cell membranes from HEK293 cells transfected with the human CB1 receptor and membranes from CHO-K1 cells transfected with the human CB2 receptor were...


US Patent US9139546 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ609M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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Article
PubMed
2.94n/an/an/an/an/an/an/an/a



University of Tennessee-Memphis

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 19: 1691-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.100
BindingDB Entry DOI: 10.7270/Q2SX6D3N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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Article
PubMed
121n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analys...


Bioorg Med Chem 23: 5390-401 (2015)


Article DOI: 10.1016/j.bmc.2015.07.057
BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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Article
PubMed
121n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-CP55940 from human recombinant cannabinoid CB2 receptor expressed in HEK cell membranes incubated for 1.5 hrs by liquid scintill...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116035
BindingDB Entry DOI: 10.7270/Q2K077Z0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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Article
PubMed
n/an/an/an/a 155n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116035
BindingDB Entry DOI: 10.7270/Q2K077Z0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
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Article
PubMed
n/an/an/an/a 155n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at human recombinant cannabinoid CB2 receptor expressed in HEK cells transfected with CNG assessed as increase in cAMP level...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116035
BindingDB Entry DOI: 10.7270/Q2K077Z0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50248604
PNG
((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...)
Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H
PDB

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Article
PubMed
n/an/an/an/a 153n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inverse agonist activity at CB2 receptor (unknown origin) expressed in HEK cells assessed as increase in cAMP production measured at 50 mins by ACTOn...


Bioorg Med Chem 23: 5390-401 (2015)


Article DOI: 10.1016/j.bmc.2015.07.057
BindingDB Entry DOI: 10.7270/Q2HD7XF2
More data for this
Ligand-Target Pair