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PubMed code 17582659

Compile data set for download or QSAR
Found 22 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))
BDBM50240606
PNG
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3
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8.5n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activity at CB2 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Activity at CB2 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50008022
PNG
((4-Methoxy-phenyl)-(3-morpholin-4-ylmethyl-2,3-dih...)
Show SMILES COc1ccc(cc1)C(=O)c1c2CCC(CN3CCOCC3)n2c2ccccc12
Show InChI InChI=1S/C24H26N2O3/c1-28-19-9-6-17(7-10-19)24(27)23-20-4-2-3-5-21(20)26-18(8-11-22(23)26)16-25-12-14-29-15-13-25/h2-7,9-10,18H,8,11-16H2,1H3
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n/an/a 0.320n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
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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n/an/a 2n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251194
PNG
(4-(2-(3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-1...)
Show SMILES C(Cn1cc(-c2nc(no2)-c2ccccc2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H22N4O2/c1-2-6-17(7-3-1)21-23-22(28-24-21)19-16-26(20-9-5-4-8-18(19)20)11-10-25-12-14-27-15-13-25/h1-9,16H,10-15H2
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n/an/a 250n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
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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n/an/a 430n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 453n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50251193
PNG
(3-[3-Benzyl-[1,2,4]oxadiazol-5-yl]-1-(2-morpholin-...)
Show SMILES C(Cn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C23H24N4O2/c1-2-6-18(7-3-1)16-22-24-23(29-25-22)20-17-27(21-9-5-4-8-19(20)21)11-10-26-12-14-28-15-13-26/h1-9,17H,10-16H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from CB2 receptor in Sprague-Dawley rat spleen membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251195
PNG
(4-(2-(3-(3-Biphenyl-4-yl)-1,2,4-oxadiazol-5-yl)-1H...)
Show SMILES C(Cn1cc(-c2nc(no2)-c2ccc(cc2)-c2ccccc2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C28H26N4O2/c1-2-6-21(7-3-1)22-10-12-23(13-11-22)27-29-28(34-30-27)25-20-32(26-9-5-4-8-24(25)26)15-14-31-16-18-33-19-17-31/h1-13,20H,14-19H2
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n/an/a 1.52E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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n/an/a 2.20E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from CB2 receptor in Sprague-Dawley rat spleen membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251193
PNG
(3-[3-Benzyl-[1,2,4]oxadiazol-5-yl]-1-(2-morpholin-...)
Show SMILES C(Cn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C23H24N4O2/c1-2-6-18(7-3-1)16-22-24-23(29-25-22)20-17-27(21-9-5-4-8-19(20)21)11-10-26-12-14-28-15-13-26/h1-9,17H,10-16H2
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n/an/a 2.62E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50260494
PNG
(4-(2-(3-(3-(4-Methoxybenzyl)-1,2,4-oxadiazol-5-yl)...)
Show SMILES COc1ccc(Cc2noc(n2)-c2cn(CCN3CCOCC3)c3ccccc23)cc1
Show InChI InChI=1S/C24H26N4O3/c1-29-19-8-6-18(7-9-19)16-23-25-24(31-26-23)21-17-28(22-5-3-2-4-20(21)22)11-10-27-12-14-30-15-13-27/h2-9,17H,10-16H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from CB2 receptor in Sprague-Dawley rat spleen membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251180
PNG
((6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-met...)
Show SMILES CCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1 |r,c:16|
Show InChI InChI=1S/C23H34O3/c1-6-7-10-22(2,3)16-12-19(25)21-17-11-15(14-24)8-9-18(17)23(4,5)26-20(21)13-16/h8,12-13,17-18,24-25H,6-7,9-11,14H2,1-5H3/t17-,18-/m0/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 3.92E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50251194
PNG
(4-(2-(3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-1...)
Show SMILES C(Cn1cc(-c2nc(no2)-c2ccccc2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C22H22N4O2/c1-2-6-17(7-3-1)21-23-22(28-24-21)19-16-26(20-9-5-4-8-18(19)20)11-10-25-12-14-27-15-13-25/h1-9,16H,10-15H2
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n/an/a 4.03E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from CB2 receptor in Sprague-Dawley rat spleen membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260493
PNG
(3-Benzyl-5-1-(2-(piperidine-1-yl)ethyl)-1H-indol-3...)
Show SMILES C(Cn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc12)N1CCCCC1
Show InChI InChI=1S/C24H26N4O/c1-3-9-19(10-4-1)17-23-25-24(29-26-23)21-18-28(22-12-6-5-11-20(21)22)16-15-27-13-7-2-8-14-27/h1,3-6,9-12,18H,2,7-8,13-17H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260502
PNG
(4-((3-(3-Benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-y...)
Show SMILES O=C1NC(Cn2cc(-c3nc(Cc4ccccc4)no3)c3ccccc23)CO1
Show InChI InChI=1S/C21H18N4O3/c26-21-22-15(13-27-21)11-25-12-17(16-8-4-5-9-18(16)25)20-23-19(24-28-20)10-14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2,(H,22,26)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260495
PNG
(4-(2-(3-(3-(4-Bromobenzyl)-1,2,4-oxadiazol-5-yl)-1...)
Show SMILES Brc1ccc(Cc2noc(n2)-c2cn(CCN3CCOCC3)c3ccccc23)cc1
Show InChI InChI=1S/C23H23BrN4O2/c24-18-7-5-17(6-8-18)15-22-25-23(30-26-22)20-16-28(21-4-2-1-3-19(20)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
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n/an/a 6.20E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260500
PNG
(4-(2-(3-(3-Phenethyl-1,2,4-oxadiazol-5-yl)-1H-indo...)
Show SMILES C(Cn1cc(-c2nc(CCc3ccccc3)no2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C24H26N4O2/c1-2-6-19(7-3-1)10-11-23-25-24(30-26-23)21-18-28(22-9-5-4-8-20(21)22)13-12-27-14-16-29-17-15-27/h1-9,18H,10-17H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260484
PNG
(4-(2-(3-(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5...)
Show SMILES C(Cn1cc(-c2nc(Cc3cccs3)no2)c2ccccc12)N1CCOCC1
Show InChI InChI=1S/C21H22N4O2S/c1-2-6-19-17(5-1)18(15-25(19)8-7-24-9-11-26-12-10-24)21-22-20(23-27-21)14-16-4-3-13-28-16/h1-6,13,15H,7-12,14H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260501
PNG
(4-(2-(3-(3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)-...)
Show SMILES Clc1ccccc1Cc1noc(n1)-c1cn(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H23ClN4O2/c24-20-7-3-1-5-17(20)15-22-25-23(30-26-22)19-16-28(21-8-4-2-6-18(19)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260499
PNG
(3-Benzyl-5-(1-pentyl-1H-indol-3-yl)-1,2,4-oxadiazo...)
Show SMILES CCCCCn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc12
Show InChI InChI=1S/C22H23N3O/c1-2-3-9-14-25-16-19(18-12-7-8-13-20(18)25)22-23-21(24-26-22)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3
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PC sid
UniChem
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PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in Sprague-Dawley rat cerebellum membrane


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%