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PubMed code 26789378

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
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))		BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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PubMed
 3.70n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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 15n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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 46n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156104
PNG
(CHEMBL3780020)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
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 523n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156108
PNG
(CHEMBL3781158)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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 698n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156105
PNG
(CHEMBL3781437)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3
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 1.07E+3n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156114
PNG
(CHEMBL3781085)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-31(28-25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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 1.58E+3n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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 3.60E+3n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156115
PNG
(CHEMBL3781210)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3)C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-28-31(25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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 4.92E+3n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156103
PNG
(CHEMBL3781521)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3
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 6.39E+3n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156114
PNG
(CHEMBL3781085)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-31(28-25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156111
PNG
(CHEMBL3780471)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3cccc(C)c3C)C(C)(C)Oc2c1
Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-27-22-10-9-21(35-5)15-25(22)36-28(3,4)23(27)16-30-33/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156110
PNG
(CHEMBL3780529)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4cccc(C)c4C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-16-23-27(30-33)22-10-9-21(35-5)15-25(22)36-28(23,3)4/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156103
PNG
(CHEMBL3781521)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156117
PNG
(CHEMBL3781036)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccccc3)C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-27-30(24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156108
PNG
(CHEMBL3781158)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156112
PNG
(CHEMBL3780748)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156113
PNG
(CHEMBL3780452)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3OC)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-29-32(26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156106
PNG
(CHEMBL3779954)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3
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>4.00E+4n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156110
PNG
(CHEMBL3780529)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4cccc(C)c4C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-16-23-27(30-33)22-10-9-21(35-5)15-25(22)36-28(23,3)4/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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>4.00E+4n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156111
PNG
(CHEMBL3780471)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3cccc(C)c3C)C(C)(C)Oc2c1
Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-27-22-10-9-21(35-5)15-25(22)36-28(3,4)23(27)16-30-33/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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>4.00E+4n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156104
PNG
(CHEMBL3780020)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156105
PNG
(CHEMBL3781437)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156116
PNG
(CHEMBL3781224)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156115
PNG
(CHEMBL3781210)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3)C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-28-31(25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156119
PNG
(CHEMBL3781764)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccco3)C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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>4.00E+4n/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 CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156112
PNG
(CHEMBL3780748)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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>4.00E+4n/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 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156113
PNG
(CHEMBL3780452)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3OC)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-29-32(26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156106
PNG
(CHEMBL3779954)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156109
PNG
(CHEMBL3781297)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)NCn2ncc3c2-c2ccc(OC)cc2OC3(C)C)CC1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156109
PNG
(CHEMBL3781297)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)NCn2ncc3c2-c2ccc(OC)cc2OC3(C)C)CC1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156109
PNG
(CHEMBL3781297)
Show SMILES COc1ccc(cc1)N1CCN(CC(=O)NCn2ncc3c2-c2ccc(OC)cc2OC3(C)C)CC1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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n/an/an/an/a 27n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 392n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells after 30 mins by [35S]-GTPgammaS binding assay relative to control

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156105
PNG
(CHEMBL3781437)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3
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n/an/an/an/a 0.400n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156108
PNG
(CHEMBL3781158)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 0.880n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156112
PNG
(CHEMBL3780748)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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n/an/an/an/a 28n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156120
PNG
(CHEMBL3780056)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20-,22-,23-,24+,25-,26-,27-/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156106
PNG
(CHEMBL3779954)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3
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n/an/an/an/a 18n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156103
PNG
(CHEMBL3781521)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3
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n/an/an/an/a 0.690n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156116
PNG
(CHEMBL3781224)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 29n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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n/an/an/an/a 0.600n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156114
PNG
(CHEMBL3781085)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-31(28-25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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n/an/an/an/a 32n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156115
PNG
(CHEMBL3781210)
Show SMILES COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3)C(C)(C)Oc2c1
Show InChI InChI=1S/C26H31N5O3/c1-26(2)22-16-28-31(25(22)21-10-9-20(33-3)15-23(21)34-26)18-27-24(32)17-29-11-13-30(14-12-29)19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3,(H,27,32)
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n/an/an/an/a 28n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156119
PNG
(CHEMBL3781764)
Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccco3)C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 20n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156106
PNG
(CHEMBL3779954)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32N4O4/c1-27(2)23-18-31(28-26(23)22-10-9-21(33-3)17-24(22)35-27)16-13-29-11-14-30(15-12-29)25(32)19-34-20-7-5-4-6-8-20/h4-10,17-18H,11-16,19H2,1-3H3
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n/an/an/an/a 1.30n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156108
PNG
(CHEMBL3781158)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 20n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156105
PNG
(CHEMBL3781437)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h6-7,15-16,20H,4-5,8-14H2,1-3H3
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n/an/an/an/a 25n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156104
PNG
(CHEMBL3780020)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
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n/an/an/an/a 25n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156112
PNG
(CHEMBL3780748)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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n/an/an/an/a 6.40n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 0.510n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156104
PNG
(CHEMBL3780020)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
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n/an/an/an/a 8.70n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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n/an/an/an/a 16n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156102
PNG
(CHEMBL3781953)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 8.20n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156103
PNG
(CHEMBL3781521)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34N4O3/c1-23(2,3)22(29)27-12-9-26(10-13-27)11-14-28-16-19-21(25-28)18-8-7-17(30-6)15-20(18)31-24(19,4)5/h7-8,15-16H,9-14H2,1-6H3
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n/an/an/an/a 22n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM50156110
PNG
(CHEMBL3780529)
Show SMILES COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4cccc(C)c4C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-16-23-27(30-33)22-10-9-21(35-5)15-25(22)36-28(23,3)4/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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n/an/an/an/a 30n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...

J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%