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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50038810   
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))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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0.439n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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1.20n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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1.24n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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1.37n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human cannabinoid CB1 receptor


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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6.06n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human cannabinoid CB1 receptor


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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6.06n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50267372
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
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12.4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278426
PNG
(5-methoxy-3-(2-methoxybenzyl)-7-methyl-2H-chromen-...)
Show SMILES COc1ccccc1Cc1cc2c(OC)cc(C)cc2oc1=O
Show InChI InChI=1S/C19H18O4/c1-12-8-17(22-3)15-11-14(19(20)23-18(15)9-12)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3
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738n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278382
PNG
(3-(2-Chlorobenzyl)-5-methoxy-7-methyl-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3Cl)cc12
Show InChI InChI=1S/C18H15ClO3/c1-11-7-16(21-2)14-10-13(18(20)22-17(14)8-11)9-12-5-3-4-6-15(12)19/h3-8,10H,9H2,1-2H3
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978n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278426
PNG
(5-methoxy-3-(2-methoxybenzyl)-7-methyl-2H-chromen-...)
Show SMILES COc1ccccc1Cc1cc2c(OC)cc(C)cc2oc1=O
Show InChI InChI=1S/C19H18O4/c1-12-8-17(22-3)15-11-14(19(20)23-18(15)9-12)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3
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1.03E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278425
PNG
(3-(2-Hydroxybenzyl)-5-methoxy-7-methyl-2Hchromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3O)cc12
Show InChI InChI=1S/C18H16O4/c1-11-7-16(21-2)14-10-13(18(20)22-17(14)8-11)9-12-5-3-4-6-15(12)19/h3-8,10,19H,9H2,1-2H3
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1.10E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278380
PNG
(5-Methoxy-7-methyl-3-(2-methylbenzyl)-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C19H18O3/c1-12-8-17(21-3)16-11-15(19(20)22-18(16)9-12)10-14-7-5-4-6-13(14)2/h4-9,11H,10H2,1-3H3
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1.17E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278520
PNG
(1-(6-(1,3-dithiolan-2-yl)-2,2-dimethyl-2H-chromen-...)
Show SMILES CCOC(=O)C(=C\C=C\c1ccccc1)\C(=O)Oc1c(ccc2OC(C)(C)C=Cc12)C1SCCS1 |c:28|
Show InChI InChI=1S/C28H28O5S2/c1-4-31-25(29)22(12-8-11-19-9-6-5-7-10-19)26(30)32-24-20-15-16-28(2,3)33-23(20)14-13-21(24)27-34-17-18-35-27/h5-16,27H,4,17-18H2,1-3H3/b11-8+,22-12-
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1.37E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278382
PNG
(3-(2-Chlorobenzyl)-5-methoxy-7-methyl-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3Cl)cc12
Show InChI InChI=1S/C18H15ClO3/c1-11-7-16(21-2)14-10-13(18(20)22-17(14)8-11)9-12-5-3-4-6-15(12)19/h3-8,10H,9H2,1-2H3
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1.54E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278258
PNG
(2-(2-Methoxybenzyl)-3H-benzo[f]chromen-3-one | CHE...)
Show SMILES COc1ccccc1Cc1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C21H16O3/c1-23-19-9-5-3-7-15(19)12-16-13-18-17-8-4-2-6-14(17)10-11-20(18)24-21(16)22/h2-11,13H,12H2,1H3
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2.06E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278424
PNG
(3-(4-Chlorobenzyl)-5-methoxy-7-methyl-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C18H15ClO3/c1-11-7-16(21-2)15-10-13(18(20)22-17(15)8-11)9-12-3-5-14(19)6-4-12/h3-8,10H,9H2,1-2H3
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2.08E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278380
PNG
(5-Methoxy-7-methyl-3-(2-methylbenzyl)-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C19H18O3/c1-12-8-17(21-3)16-11-15(19(20)22-18(16)9-12)10-14-7-5-4-6-13(14)2/h4-9,11H,10H2,1-3H3
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2.16E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278475
PNG
(3-Benzyl-5-isopropyl-8-methylchromen-2-one | CHEMB...)
Show SMILES CC(C)c1ccc(C)c2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C20H20O2/c1-13(2)17-10-9-14(3)19-18(17)12-16(20(21)22-19)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3
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2.76E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278471
PNG
(3-(2,4-Dimethoxybenzyl)-5-methoxy-7-methyl-2Hchrom...)
Show SMILES COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c(OC)c1
Show InChI InChI=1S/C20H20O5/c1-12-7-18(24-4)16-10-14(20(21)25-19(16)8-12)9-13-5-6-15(22-2)11-17(13)23-3/h5-8,10-11H,9H2,1-4H3
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2.78E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278428
PNG
(5-Methoxy-3-(3-methoxybenzyl)-7-methyl-2Hchromen-2...)
Show SMILES COc1cccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c1
Show InChI InChI=1S/C19H18O4/c1-12-7-17(22-3)16-11-14(19(20)23-18(16)8-12)9-13-5-4-6-15(10-13)21-2/h4-8,10-11H,9H2,1-3H3
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3.37E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278379
PNG
(3-Benzyl-5-methoxy-7-methylchromen-2-one | CHEMBL4...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C18H16O3/c1-12-8-16(20-2)15-11-14(18(19)21-17(15)9-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
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3.46E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278429
PNG
(5-Methoxy-3-(2-methoxybenzyl)-2H-chromen-2-one | C...)
Show SMILES COc1ccccc1Cc1cc2c(OC)cccc2oc1=O
Show InChI InChI=1S/C18H16O4/c1-20-15-7-4-3-6-12(15)10-13-11-14-16(21-2)8-5-9-17(14)22-18(13)19/h3-9,11H,10H2,1-2H3
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3.49E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278472
PNG
(5-Methoxy-3-(2-methoxybenzyl)-8-methyl-2Hchromen-2...)
Show SMILES COc1ccccc1Cc1cc2c(OC)ccc(C)c2oc1=O
Show InChI InChI=1S/C19H18O4/c1-12-8-9-17(22-3)15-11-14(19(20)23-18(12)15)10-13-6-4-5-7-16(13)21-2/h4-9,11H,10H2,1-3H3
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3.65E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278428
PNG
(5-Methoxy-3-(3-methoxybenzyl)-7-methyl-2Hchromen-2...)
Show SMILES COc1cccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c1
Show InChI InChI=1S/C19H18O4/c1-12-7-17(22-3)16-11-14(19(20)23-18(16)8-12)9-13-5-4-6-15(10-13)21-2/h4-8,10-11H,9H2,1-3H3
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4.11E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278257
PNG
(2-Benzylbenzo[f]chromen-3-one | CHEMBL513763)
Show SMILES O=c1oc2ccc3ccccc3c2cc1Cc1ccccc1
Show InChI InChI=1S/C20H14O2/c21-20-16(12-14-6-2-1-3-7-14)13-18-17-9-5-4-8-15(17)10-11-19(18)22-20/h1-11,13H,12H2
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4.19E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50267372
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
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4.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50267372
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
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4.20E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to rat spleen cannabinoid CB2 receptor


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278475
PNG
(3-Benzyl-5-isopropyl-8-methylchromen-2-one | CHEMB...)
Show SMILES CC(C)c1ccc(C)c2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C20H20O2/c1-13(2)17-10-9-14(3)19-18(17)12-16(20(21)22-19)11-15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3
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4.27E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278381
PNG
(5-Methoxy-7-methyl-3-(4-methylbenzyl)-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccc(C)cc3)cc12
Show InChI InChI=1S/C19H18O3/c1-12-4-6-14(7-5-12)10-15-11-16-17(21-3)8-13(2)9-18(16)22-19(15)20/h4-9,11H,10H2,1-3H3
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4.76E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278519
PNG
(2-(2-hydroxybenzylidene)-2,3,4,4a-tetrahydro-1H-xa...)
Show SMILES Oc1ccccc1\C=C1/CCC2Oc3ccccc3C=C2C1=O |c:21|
Show InChI InChI=1S/C20H16O3/c21-17-7-3-1-5-13(17)11-15-9-10-19-16(20(15)22)12-14-6-2-4-8-18(14)23-19/h1-8,11-12,19,21H,9-10H2/b15-11+
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4.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278425
PNG
(3-(2-Hydroxybenzyl)-5-methoxy-7-methyl-2Hchromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccccc3O)cc12
Show InChI InChI=1S/C18H16O4/c1-11-7-16(21-2)14-10-13(18(20)22-17(14)8-11)9-12-5-3-4-6-15(12)19/h3-8,10,19H,9H2,1-2H3
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5.24E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278473
PNG
(5-Isopropyl-3-(2-methoxybenzyl)-7-methyl-2Hchromen...)
Show SMILES COc1ccccc1Cc1cc2c(ccc(C)c2oc1=O)C(C)C
Show InChI InChI=1S/C21H22O3/c1-13(2)17-10-9-14(3)20-18(17)12-16(21(22)24-20)11-15-7-5-6-8-19(15)23-4/h5-10,12-13H,11H2,1-4H3
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5.67E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278427
PNG
(5-Methoxy-3-(4-methoxybenzyl)-7-methylchromen-2-on...)
Show SMILES COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)cc1
Show InChI InChI=1S/C19H18O4/c1-12-8-17(22-3)16-11-14(19(20)23-18(16)9-12)10-13-4-6-15(21-2)7-5-13/h4-9,11H,10H2,1-3H3
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5.81E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278427
PNG
(5-Methoxy-3-(4-methoxybenzyl)-7-methylchromen-2-on...)
Show SMILES COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)cc1
Show InChI InChI=1S/C19H18O4/c1-12-8-17(22-3)16-11-14(19(20)23-18(16)9-12)10-13-4-6-15(21-2)7-5-13/h4-9,11H,10H2,1-3H3
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6.14E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278473
PNG
(5-Isopropyl-3-(2-methoxybenzyl)-7-methyl-2Hchromen...)
Show SMILES COc1ccccc1Cc1cc2c(ccc(C)c2oc1=O)C(C)C
Show InChI InChI=1S/C21H22O3/c1-13(2)17-10-9-14(3)20-18(17)12-16(21(22)24-20)11-15-7-5-6-8-19(15)23-4/h5-10,12-13H,11H2,1-4H3
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6.18E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278471
PNG
(3-(2,4-Dimethoxybenzyl)-5-methoxy-7-methyl-2Hchrom...)
Show SMILES COc1ccc(Cc2cc3c(OC)cc(C)cc3oc2=O)c(OC)c1
Show InChI InChI=1S/C20H20O5/c1-12-7-18(24-4)16-10-14(20(21)25-19(16)8-12)9-13-5-6-15(22-2)11-17(13)23-3/h5-8,10-11H,9H2,1-4H3
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6.23E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278381
PNG
(5-Methoxy-7-methyl-3-(4-methylbenzyl)-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccc(C)cc3)cc12
Show InChI InChI=1S/C19H18O3/c1-12-4-6-14(7-5-12)10-15-11-16-17(21-3)8-13(2)9-18(16)22-19(15)20/h4-9,11H,10H2,1-3H3
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9.14E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278424
PNG
(3-(4-Chlorobenzyl)-5-methoxy-7-methyl-2H-chromen-2...)
Show SMILES COc1cc(C)cc2oc(=O)c(Cc3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C18H15ClO3/c1-11-7-16(21-2)15-10-13(18(20)22-17(15)8-11)9-12-3-5-14(19)6-4-12/h3-8,10H,9H2,1-2H3
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9.39E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278429
PNG
(5-Methoxy-3-(2-methoxybenzyl)-2H-chromen-2-one | C...)
Show SMILES COc1ccccc1Cc1cc2c(OC)cccc2oc1=O
Show InChI InChI=1S/C18H16O4/c1-20-15-7-4-3-6-12(15)10-13-11-14-16(21-2)8-5-9-17(14)22-18(13)19/h3-9,11H,10H2,1-2H3
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9.57E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278327
PNG
(6-Methoxy-3-methylchromen-2-one | CHEMBL508042)
Show SMILES COc1ccc2oc(=O)c(C)cc2c1
Show InChI InChI=1S/C11H10O3/c1-7-5-8-6-9(13-2)3-4-10(8)14-11(7)12/h3-6H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278329
PNG
(6-Iodo-3-methyl-chromen-2-one | CHEMBL455557)
Show SMILES Cc1cc2cc(I)ccc2oc1=O
Show InChI InChI=1S/C10H7IO2/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278328
PNG
(3-Benzyl-6-iodochromen-2-one | CHEMBL443168)
Show SMILES Ic1ccc2oc(=O)c(Cc3ccccc3)cc2c1
Show InChI InChI=1S/C16H11IO2/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278330
PNG
(3-Benzyl-6-nitrochromen-2-one | CHEMBL472635)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(Cc3ccccc3)cc2c1
Show InChI InChI=1S/C16H11NO4/c18-16-13(8-11-4-2-1-3-5-11)9-12-10-14(17(19)20)6-7-15(12)21-16/h1-7,9-10H,8H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278331
PNG
(3-Benzyl-7-methoxychromen-2-one | CHEMBL516339)
Show SMILES COc1ccc2cc(Cc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C17H14O3/c1-19-15-8-7-13-10-14(17(18)20-16(13)11-15)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278474
PNG
(3-Benzyl-8-bromo-5-methoxychromen-2-one | CHEMBL47...)
Show SMILES COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C17H13BrO3/c1-20-15-8-7-14(18)16-13(15)10-12(17(19)21-16)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278476
PNG
(5-Isopropyl-3,8-dimethylchromen-2-one | CHEMBL5067...)
Show SMILES CC(C)c1ccc(C)c2oc(=O)c(C)cc12
Show InChI InChI=1S/C14H16O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(15)16-13/h5-8H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278516
PNG
(6-Bromo-8-methoxy-3-methylchromen-2-one | CHEMBL47...)
Show SMILES COc1cc(Br)cc2cc(C)c(=O)oc12
Show InChI InChI=1S/C11H9BrO3/c1-6-3-7-4-8(12)5-9(14-2)10(7)15-11(6)13/h3-5H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50278518
PNG
(1-(8-bromo-5-methoxy-2-methyl-2H-chromen-3-yl)etha...)
Show SMILES COc1ccc(Br)c2OC(C)C(=Cc12)C(C)=O |c:11|
Show InChI InChI=1S/C13H13BrO3/c1-7(15)9-6-10-12(16-3)5-4-11(14)13(10)17-8(9)2/h4-6,8H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278256
PNG
(3-Benzylchromen-2-one | CHEMBL472493)
Show SMILES O=c1oc2ccccc2cc1Cc1ccccc1
Show InChI InChI=1S/C16H12O2/c17-16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18-16/h1-9,11H,10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50278325
PNG
(3-Benzyl-5-methoxychromen-2-one | CHEMBL471247)
Show SMILES COc1cccc2oc(=O)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C17H14O3/c1-19-15-8-5-9-16-14(15)11-13(17(18)20-16)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells


Bioorg Med Chem 17: 2842-51 (2009)


Article DOI: 10.1016/j.bmc.2009.02.027
BindingDB Entry DOI: 10.7270/Q23R0TSC
More data for this
Ligand-Target Pair
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