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PubMed code 16392793

Compile data set for download or QSAR
Found 42 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 1


(Homo sapiens (Human))
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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5.37n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
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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9.10n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
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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15.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180020
PNG
(4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |TLB:14:15:20.13.12:21,22:11:20:17.14.15,THB:14:13:21:17.15.22,10:11:20:17.14.15,22:15:20:12.11.21,16:15:20:12.11.21,16:15:20.13.12:21|
Show InChI InChI=1S/C27H36N2O2/c1-4-5-8-11-29-15-21(23(30)20-9-6-7-10-22(20)29)24(31)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,31)
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15.8n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180040
PNG
(4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)
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16.4n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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20.3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180021
PNG
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1
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37.1n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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51.7n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180028
PNG
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29)
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60.2n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180044
PNG
((RS)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydro...)
Show SMILES CCCCCn1cc(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)
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70.8n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180038
PNG
((R)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31)/t19-/m1/s1
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125n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180030
PNG
((RS)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC(C)c2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31)
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174n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180041
PNG
(CHEMBL201175 | N3-(phenethyl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NCCc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-2-3-9-16-25-17-20(22(26)19-12-7-8-13-21(19)25)23(27)24-15-14-18-10-5-4-6-11-18/h4-8,10-13,17H,2-3,9,14-16H2,1H3,(H,24,27)
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201n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180027
PNG
(CHEMBL199907 | N3-(1-naphthyl)-4-oxo-1-pentyl-1,4-...)
Show SMILES CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29)
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371n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180039
PNG
(CHEMBL201056 | N3-(2-(benzo[1,3]dioxol-5-yl)ethyl)...)
Show SMILES CCCCCn1cc(C(=O)NCCc2ccc3OCOc3c2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H26N2O4/c1-2-3-6-13-26-15-19(23(27)18-7-4-5-8-20(18)26)24(28)25-12-11-17-9-10-21-22(14-17)30-16-29-21/h4-5,7-10,14-15H,2-3,6,11-13,16H2,1H3,(H,25,28)
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426n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180042
PNG
(CHEMBL200179 | N3-(1-naphthyl)-1-butyl-4-oxo-1,4-d...)
Show SMILES CCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-2-3-15-26-16-20(23(27)19-12-6-7-14-22(19)26)24(28)25-21-13-8-10-17-9-4-5-11-18(17)21/h4-14,16H,2-3,15H2,1H3,(H,25,28)
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455n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180032
PNG
((R)-N3-(1-(2-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-16-29-18-24(26(30)23-12-7-8-13-25(23)29)27(31)28-19(2)21-15-14-20-10-5-6-11-22(20)17-21/h5-8,10-15,17-19H,3-4,9,16H2,1-2H3,(H,28,31)/t19-/m1/s1
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584n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180025
PNG
(CHEMBL381431 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O |TLB:12:9:4:7.2.1,0:1:4.3.10:8,THB:2:3:8:7.1.11,2:1:4.3.10:8,11:1:4:10.9.8,11:9:4:7.2.1,0:1:4:10.9.8|
Show InChI InChI=1S/C29H32N2O2/c1-27-12-21-13-28(2,17-27)19-29(14-21,18-27)30-26(33)23-16-31(15-20-8-4-3-5-9-20)24-11-7-6-10-22(24)25(23)32/h3-11,16,21H,12-15,17-19H2,1-2H3,(H,30,33)
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664n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180024
PNG
(CHEMBL373169 | N3-(4-cyanophenyl)-4-oxo-1-pentyl-1...)
Show SMILES CCCCCn1cc(C(=O)Nc2ccc(cc2)C#N)c(=O)c2ccccc12
Show InChI InChI=1S/C22H21N3O2/c1-2-3-6-13-25-15-19(21(26)18-7-4-5-8-20(18)25)22(27)24-17-11-9-16(14-23)10-12-17/h4-5,7-12,15H,2-3,6,13H2,1H3,(H,24,27)
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772n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180037
PNG
((S)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m0/s1
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784n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180031
PNG
(CHEMBL200100 | N3-(1-naphthyl)-1-hexyl-4-oxo-1,4-d...)
Show SMILES CCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-2-3-4-9-17-28-18-22(25(29)21-14-7-8-16-24(21)28)26(30)27-23-15-10-12-19-11-5-6-13-20(19)23/h5-8,10-16,18H,2-4,9,17H2,1H3,(H,27,30)
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844n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180023
PNG
(CHEMBL199721 | N3-(3,4-dichlorophenyl)-4-oxo-1-pen...)
Show SMILES CCCCCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12
Show InChI InChI=1S/C21H20Cl2N2O2/c1-2-3-6-11-25-13-16(20(26)15-7-4-5-8-19(15)25)21(27)24-14-9-10-17(22)18(23)12-14/h4-5,7-10,12-13H,2-3,6,11H2,1H3,(H,24,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180029
PNG
((S)-N3-(1-(1-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C)c2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-17-29-18-24(26(30)23-14-7-8-16-25(23)29)27(31)28-19(2)21-15-10-12-20-11-5-6-13-22(20)21/h5-8,10-16,18-19H,3-4,9,17H2,1-2H3,(H,28,31)/t19-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180035
PNG
(CHEMBL199783 | N3-(benzyl)-4-oxo-1-pentyl-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H24N2O2/c1-2-3-9-14-24-16-19(21(25)18-12-7-8-13-20(18)24)22(26)23-15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,23,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180043
PNG
((RS)-N3-(1-(2-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC(C)c2ccc3ccccc3c2)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-16-29-18-24(26(30)23-12-7-8-13-25(23)29)27(31)28-19(2)21-15-14-20-10-5-6-11-22(20)17-21/h5-8,10-15,17-19H,3-4,9,16H2,1-2H3,(H,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180033
PNG
(CHEMBL372119 | N3-(3-phenylpropyl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NCCCc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H28N2O2/c1-2-3-9-17-26-18-21(23(27)20-14-7-8-15-22(20)26)24(28)25-16-10-13-19-11-5-4-6-12-19/h4-8,11-12,14-15,18H,2-3,9-10,13,16-17H2,1H3,(H,25,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180028
PNG
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29)
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1.05E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180021
PNG
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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1.93E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180027
PNG
(CHEMBL199907 | N3-(1-naphthyl)-4-oxo-1-pentyl-1,4-...)
Show SMILES CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29)
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4.08E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180034
PNG
((S)-N3-(1-(2-naphthyl)ethyl)-4-oxo-1-pentyl-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c(=O)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-3-4-9-16-29-18-24(26(30)23-12-7-8-13-25(23)29)27(31)28-19(2)21-15-14-20-10-5-6-11-22(20)17-21/h5-8,10-15,17-19H,3-4,9,16H2,1-2H3,(H,28,31)/t19-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
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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n/an/an/an/a 6.10n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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n/an/an/an/a 2.10n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180028
PNG
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12
Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29)
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n/an/an/an/a 157n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180026
PNG
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29)
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n/an/an/an/a 24.8n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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n/an/an/an/a 146n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180021
PNG
((R)-N3-(1-phenylethyl)-4-oxo-1-pentyl-1,4-dihydroq...)
Show SMILES CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-3-4-10-15-25-16-20(22(26)19-13-8-9-14-21(19)25)23(27)24-17(2)18-11-6-5-7-12-18/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3,(H,24,27)/t17-/m1/s1
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n/an/an/an/a 16.8n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180020
PNG
(4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |TLB:14:15:20.13.12:21,22:11:20:17.14.15,THB:14:13:21:17.15.22,10:11:20:17.14.15,22:15:20:12.11.21,16:15:20:12.11.21,16:15:20.13.12:21|
Show InChI InChI=1S/C27H36N2O2/c1-4-5-8-11-29-15-21(23(30)20-9-6-7-10-22(20)29)24(31)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,31)
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n/an/an/an/a 14.1n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
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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n/an/an/an/a 24.6n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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n/an/an/an/a 4.10n/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Effect on [35S]GTP-gamma-S binding to human CB2 receptor


J Med Chem 49: 70-9 (2006)


Article DOI: 10.1021/jm050467q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%