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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'kleyer' and Initial = 'j'   
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 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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0.490n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.830n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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35.8n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81564
PNG
(Magreth-16b)
Show SMILES CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3
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40n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295923
PNG
(4'-Methoxy-3'-(E)-propenyl)-5-(2-propenyl)-bipheny...)
Show SMILES COc1ccc(cc1\C=C\C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,7-13,20H,1,6H2,2-3H3/b7-5+
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40.8n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295926
PNG
(4'-O-methylhonokiol, MH | 4-methoxyhonokiol | ...)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
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43.9n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81566
PNG
(Magreth-17b)
Show SMILES CCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C21H24O2/c1-4-7-16-9-11-20(22)19(14-16)17-10-12-21(23-13-6-3)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3
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46n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81563
PNG
(Magreth-16a)
Show SMILES CCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C20H22O2/c1-4-7-15-9-12-20(22-6-3)18(13-15)16-10-11-19(21)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3
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51n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81565
PNG
(Magreth-17a)
Show SMILES CCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3
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57n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295923
PNG
(4'-Methoxy-3'-(E)-propenyl)-5-(2-propenyl)-bipheny...)
Show SMILES COc1ccc(cc1\C=C\C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,7-13,20H,1,6H2,2-3H3/b7-5+
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59.1n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295920
PNG
(4'-Methoxy-5,3'-dipropyl-biphenyl-2ol | CHEMBL5552...)
Show SMILES CCCc1ccc(O)c(c1)-c1ccc(OC)c(CCC)c1
Show InChI InChI=1S/C19H24O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h8-13,20H,4-7H2,1-3H3
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74n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81559
PNG
(Magreth-11b)
Show SMILES COc1ccc(cc1CC(C)Br)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-14-6-8-18(21)17(11-14)15-7-9-19(22-3)16(12-15)10-13(2)20/h4,6-9,11-13,21H,1,5,10H2,2-3H3
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84n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81567
PNG
(Magreth-18a)
Show SMILES CCCCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C23H28O2/c1-4-7-8-15-25-23-14-11-18(9-5-2)16-21(23)19-12-13-22(24)20(17-19)10-6-3/h5-6,11-14,16-17,24H,2-4,7-10,15H2,1H3
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102n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81569
PNG
(Magreth-19)
Show SMILES CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OCC
Show InChI InChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3
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134n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295926
PNG
(4'-O-methylhonokiol, MH | 4-methoxyhonokiol | ...)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
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138n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81556
PNG
(Arachidonoylethanolamide, AEA)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6+,10-9+,13-12+,16-15+
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278n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81560
PNG
(Magreth-11c)
Show SMILES COc1ccc(cc1CC(C)Br)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3
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427n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81562
PNG
(Magreth-12b)
Show SMILES CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC(C)Br)c1
Show InChI InChI=1S/C18H20Br2O2/c1-11(19)7-13-3-5-18(22)16(9-13)14-4-6-17(21)15(10-14)8-12(2)20/h3-6,9-12,21-22H,7-8H2,1-2H3
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680n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50295926
PNG
(4'-O-methylhonokiol, MH | 4-methoxyhonokiol | ...)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
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790n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81559
PNG
(Magreth-11b)
Show SMILES COc1ccc(cc1CC(C)Br)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-14-6-8-18(21)17(11-14)15-7-9-19(22-3)16(12-15)10-13(2)20/h4,6-9,11-13,21H,1,5,10H2,2-3H3
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860n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81557
PNG
(2-Arachidonoylglycerol, 2-AG)
Show SMILES CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6+,10-9+,13-12+,16-15+
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892n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81564
PNG
(Magreth-16b)
Show SMILES CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C20H22O2/c1-4-7-15-9-11-19(21)18(13-15)16-10-12-20(22-6-3)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3
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970n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81558
PNG
(Magreth-11a)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
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1.08E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81563
PNG
(Magreth-16a)
Show SMILES CCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C20H22O2/c1-4-7-15-9-12-20(22-6-3)18(13-15)16-10-11-19(21)17(14-16)8-5-2/h4-5,9-14,21H,1-2,6-8H2,3H3
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1.23E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81561
PNG
(Magreth-12a)
Show SMILES CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C18H19BrO2/c1-3-4-15-11-14(6-8-17(15)20)16-10-13(9-12(2)19)5-7-18(16)21/h3,5-8,10-12,20-21H,1,4,9H2,2H3
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1.26E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50157312
PNG
(5,3''-Dipropyl-biphenyl-2,4''-diol | 5,3'-Dipropyl...)
Show SMILES CCCc1ccc(O)c(c1)-c1ccc(O)c(CCC)c1
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h7-12,19-20H,3-6H2,1-2H3
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1.31E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50157304
PNG
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)
Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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1.76E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50295925
PNG
((E)-3'-Propenyl)-5-(2-propenyl)-biphenyl-2,4'-diol...)
Show SMILES C\C=C\c1cc(ccc1O)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,6-12,19-20H,1,5H2,2H3/b6-4+
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1.76E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50295920
PNG
(4'-Methoxy-5,3'-dipropyl-biphenyl-2ol | CHEMBL5552...)
Show SMILES CCCc1ccc(O)c(c1)-c1ccc(OC)c(CCC)c1
Show InChI InChI=1S/C19H24O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h8-13,20H,4-7H2,1-3H3
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM78304
PNG
(2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphe...)
Show SMILES Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50295926
PNG
(4'-O-methylhonokiol, MH | 4-methoxyhonokiol | ...)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,8-13,20H,1-2,6-7H2,3H3
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2.40E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM81568
PNG
(Magreth-18b)
Show SMILES CCCCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C23H28O2/c1-4-7-8-15-25-23-14-12-19(17-20(23)10-6-3)21-16-18(9-5-2)11-13-22(21)24/h5-6,11-14,16-17,24H,2-4,7-10,15H2,1H3
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81569
PNG
(Magreth-19)
Show SMILES CCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1OCC
Show InChI InChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81561
PNG
(Magreth-12a)
Show SMILES CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C18H19BrO2/c1-3-4-15-11-14(6-8-17(15)20)16-10-13(9-12(2)19)5-7-18(16)21/h3,5-8,10-12,20-21H,1,4,9H2,2H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81562
PNG
(Magreth-12b)
Show SMILES CC(Br)Cc1ccc(O)c(c1)-c1ccc(O)c(CC(C)Br)c1
Show InChI InChI=1S/C18H20Br2O2/c1-11(19)7-13-3-5-18(22)16(9-13)14-4-6-17(21)15(10-14)8-12(2)20/h3-6,9-12,21-22H,7-8H2,1-2H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50157312
PNG
(5,3''-Dipropyl-biphenyl-2,4''-diol | 5,3'-Dipropyl...)
Show SMILES CCCc1ccc(O)c(c1)-c1ccc(O)c(CCC)c1
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h7-12,19-20H,3-6H2,1-2H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50295925
PNG
((E)-3'-Propenyl)-5-(2-propenyl)-biphenyl-2,4'-diol...)
Show SMILES C\C=C\c1cc(ccc1O)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,6-12,19-20H,1,5H2,2H3/b6-4+
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50295923
PNG
(4'-Methoxy-3'-(E)-propenyl)-5-(2-propenyl)-bipheny...)
Show SMILES COc1ccc(cc1\C=C\C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,7-13,20H,1,6H2,2-3H3/b7-5+
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81558
PNG
(Magreth-11a)
Show SMILES COc1ccc(cc1CC=C)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H21BrO2/c1-4-5-16-12-15(7-9-19(16)22-3)17-11-14(10-13(2)20)6-8-18(17)21/h4,6-9,11-13,21H,1,5,10H2,2-3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81566
PNG
(Magreth-17b)
Show SMILES CCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C21H24O2/c1-4-7-16-9-11-20(22)19(14-16)17-10-12-21(23-13-6-3)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81567
PNG
(Magreth-18a)
Show SMILES CCCCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C23H28O2/c1-4-7-8-15-25-23-14-11-18(9-5-2)16-21(23)19-12-13-22(24)20(17-19)10-6-3/h5-6,11-14,16-17,24H,2-4,7-10,15H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81568
PNG
(Magreth-18b)
Show SMILES CCCCCOc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C23H28O2/c1-4-7-8-15-25-23-14-12-19(17-20(23)10-6-3)21-16-18(9-5-2)11-13-22(21)24/h5-6,11-14,16-17,24H,2-4,7-10,15H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81560
PNG
(Magreth-11c)
Show SMILES COc1ccc(cc1CC(C)Br)-c1cc(CC(C)Br)ccc1O
Show InChI InChI=1S/C19H22Br2O2/c1-12(20)8-14-4-6-18(22)17(10-14)15-5-7-19(23-3)16(11-15)9-13(2)21/h4-7,10-13,22H,8-9H2,1-3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50295923
PNG
(4'-Methoxy-3'-(E)-propenyl)-5-(2-propenyl)-bipheny...)
Show SMILES COc1ccc(cc1\C=C\C)-c1cc(CC=C)ccc1O
Show InChI InChI=1S/C19H20O2/c1-4-6-14-8-10-18(20)17(12-14)15-9-11-19(21-3)16(13-15)7-5-2/h4-5,7-13,20H,1,6H2,2-3H3/b7-5+
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM81565
PNG
(Magreth-17a)
Show SMILES CCCOc1ccc(CC=C)cc1-c1ccc(O)c(CC=C)c1
Show InChI InChI=1S/C21H24O2/c1-4-7-16-9-12-21(23-13-6-3)19(14-16)17-10-11-20(22)18(15-17)8-5-2/h4-5,9-12,14-15,22H,1-2,6-8,13H2,3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Bern



Assay Description
Binding assay with hCB1 and hCB2 receptors.


Chem Biol 18: 1053-64 (2011)


Article DOI: 10.1016/j.chembiol.2011.05.012
BindingDB Entry DOI: 10.7270/Q27W69PQ
More data for this
Ligand-Target Pair