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Compile Data Set for Download or QSAR

Found 9272 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2'   
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))
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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PubMed
398 -36.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29100
PNG
(dibenzothiazepine, 12h)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)
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PubMed
1.00E+3 -33.9n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29097
PNG
(dibenzothiazepine, 12c)
Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)
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PubMed
1.26E+3 -33.3n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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PubMed
2.00E+3 -32.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29099
PNG
(dibenzothiazepine, 12g)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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PubMed
5.01E+3 -29.9n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29102
PNG
(dibenzothiazepine, 12k)
Show SMILES CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1
Show InChI InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)
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n/an/an/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29095
PNG
(dibenzothiazepine, 12a)
Show SMILES O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1
Show InChI InChI=1S/C25H29N3OS/c29-25(27-28-15-7-2-8-16-28)19-13-14-23-21(17-19)26-24(18-9-3-1-4-10-18)20-11-5-6-12-22(20)30-23/h5-6,11-14,17-18H,1-4,7-10,15-16H2,(H,27,29)
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n/an/an/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29098
PNG
(dibenzothiazepine, 12e)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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n/an/an/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29096
PNG
(dibenzothiazepine, 12b)
Show SMILES Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1
Show InChI InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)
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n/an/an/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29101
PNG
(dibenzothiazepine, 12j)
Show SMILES CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1
Show InChI InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)
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n/an/an/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29078
PNG
(cyclopropanolamide, 13a | cyclopropanolamide, rac-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@@H]1O
Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22+/m1/s1
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150 -39.6n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
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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168 -39.3n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29087
PNG
(cyclopropanolamide, 14a)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H]1C[C@H]1O
Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22+/m0/s1
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190 -39.0n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29078
PNG
(cyclopropanolamide, 13a | cyclopropanolamide, rac-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@@H]1O
Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22+/m1/s1
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200 -38.9n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29079
PNG
(cyclopropanolamide, 12a | cyclopropanolamide, rac-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@H]1O
Show InChI InChI=1S/C23H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-21-20-22(21)25/h6-7,9-10,12-13,15-16,21-22,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)/b7-6-,10-9-,13-12-,16-15-/t21-,22-/m1/s1
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240 -38.4n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29081
PNG
(cyclopropanolamide, 13b | cyclopropanolamide, rac-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H]1C[C@@H]1O
Show InChI InChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-19-18-20(19)23/h9-10,19-20,23H,2-8,11-18H2,1H3,(H,22,24)/b10-9-/t19-,20+/m1/s1
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340 -37.5n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29082
PNG
(cyclopropanolamide, 12b | cyclopropanolamide, rac-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H]1C[C@H]1O
Show InChI InChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-19-18-20(19)23/h9-10,19-20,23H,2-8,11-18H2,1H3,(H,22,24)/b10-9-/t19-,20-/m1/s1
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380 -37.3n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29083
PNG
(Impulsin | MimyX | Palmidrol | Palmityoletanolamid...)
Show SMILES CCCCCCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
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>5.00E+3>-30.8n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29084
PNG
(cyclopropanolamide, rac-10c | racemic)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1O
Show InChI InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)20-17-16-18(17)21/h17-18,21H,2-16H2,1H3,(H,20,22)/t17-,18+/m1/s1
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>1.00E+4>-29.0n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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>1.00E+4>-29.0n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM29085
PNG
(cyclopropanolamide, rac-9c)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1O
Show InChI InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)20-17-16-18(17)21/h17-18,21H,2-16H2,1H3,(H,20,22)/t17-,18-/m1/s1
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>1.00E+4>-29.0n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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>1.00E+4>-29.0n/an/an/an/an/a7.430



Universita del Piemonte Orientale



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 3001-9 (2009)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q29G5K4Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353092
PNG
(CHEMBL1822945)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C23H27N3O4/c1-3-4-5-14-30-21-19(29-2)7-6-17-15-18(23(28)26-20(17)21)22(27)25-13-10-16-8-11-24-12-9-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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0.0100n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353089
PNG
(CHEMBL1822939)
Show SMILES CCCCCc1cc2cc(C(=O)OC)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C17H21NO5/c1-4-5-6-7-10-8-11-9-12(17(21)23-3)16(20)18-13(11)14(19)15(10)22-2/h8-9,19H,4-7H2,1-3H3,(H,18,20)
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0.0140n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50308541
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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0.0190n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50308541
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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0.0190n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353091
PNG
(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
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0.0200n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353091
PNG
(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
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0.0200n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353091
PNG
(CHEMBL1822944)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)[nH]c12
Show InChI InChI=1S/C20H21N3O4/c1-3-27-18-16(26-2)5-4-14-12-15(20(25)23-17(14)18)19(24)22-11-8-13-6-9-21-10-7-13/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,24)(H,23,25)
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0.0200n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50073061
PNG
(CHEMBL3410832)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
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0.0210n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50073061
PNG
(CHEMBL3410832)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c12
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(25(30)28(2)22(18)23)24(29)27-14-13-17-7-10-19(26)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)
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0.0210n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353086
PNG
(CHEMBL1822940)
Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27)
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0.0210n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
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
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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0.0230n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


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


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50073068
PNG
(CHEMBL3410813)
Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC
Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33)
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0.0260n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50073068
PNG
(CHEMBL3410813)
Show SMILES CCCCCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OCCCCC
Show InChI InChI=1S/C28H35FN2O4/c1-3-5-7-17-34-24-14-11-21-19-23(27(32)30-16-15-20-9-12-22(29)13-10-20)28(33)31-25(21)26(24)35-18-8-6-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,30,32)(H,31,33)
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0.0260n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353093
PNG
(CHEMBL1822946)
Show SMILES CCCCOc1c(OC)ccc2cc(C(O)=O)c(=O)[nH]c12
Show InChI InChI=1S/C15H17NO5/c1-3-4-7-21-13-11(20-2)6-5-9-8-10(15(18)19)14(17)16-12(9)13/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
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0.0320n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50454329
PNG
(CHEMBL2112647)
Show SMILES CC(C)(C)CCCCCc1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-24(2,3)14-8-6-7-9-18-10-12-20-21-15-19(17-26)11-13-22(21)25(4,5)27-23(20)16-18/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.0320n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Ability to bind with Cannabinoid receptor 2 using [H]CP 55,940 as radioligand from cloned human receptor preparation


J Med Chem 39: 3875-7 (1996)


Article DOI: 10.1021/jm960394y
BindingDB Entry DOI: 10.7270/Q2R49PVQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50006257
PNG
(CHEMBL3233404)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(OO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O4/c1-6-7-8-9-12-23(2,3)16-13-20(25)22-18-15-17(28-26)10-11-19(18)24(4,5)27-21(22)14-16/h10,13-14,18-19,25-26H,6-9,11-12,15H2,1-5H3/t18-,19-/m1/s1
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0.0320n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CB2 receptor


Citation and Details

Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50330773
PNG
(((6aR,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a...)
Show SMILES CCCCCCC(C)(C)c1ccc2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-6-7-8-9-14-24(2,3)19-11-12-20-21-15-18(17-26)10-13-22(21)25(4,5)27-23(20)16-19/h10-12,16,21-22,26H,6-9,13-15,17H2,1-5H3/t21-,22+/m0/s1
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0.0320n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353087
PNG
(CHEMBL1822941)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c(O)c1OC
Show InChI InChI=1S/C24H27FN2O4/c1-3-4-5-6-16-13-17-14-19(24(30)27-20(17)21(28)22(16)31-2)23(29)26-12-11-15-7-9-18(25)10-8-15/h7-10,13-14,28H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
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0.0360n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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0.0370n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 82: 281-92 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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0.0370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to CB2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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0.0400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353088
PNG
(CHEMBL1822942)
Show SMILES CCCCCc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)n(C)c2c(O)c1OC
Show InChI InChI=1S/C25H29FN2O4/c1-4-5-6-7-17-14-18-15-20(25(31)28(2)21(18)22(29)23(17)32-3)24(30)27-13-12-16-8-10-19(26)11-9-16/h8-11,14-15,29H,4-7,12-13H2,1-3H3,(H,27,30)
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0.0430n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50072968
PNG
(CHEMBL3410818)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
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0.0530n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50072968
PNG
(CHEMBL3410818)
Show SMILES CCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C21H20N2O6/c1-3-27-19-16(26-2)7-5-13-9-14(21(25)23-18(13)19)20(24)22-10-12-4-6-15-17(8-12)29-11-28-15/h4-9H,3,10-11H2,1-2H3,(H,22,24)(H,23,25)
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0.0530n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353090
PNG
(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
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0.0849n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353090
PNG
(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
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0.0850n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50353090
PNG
(CHEMBL1822943)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12
Show InChI InChI=1S/C23H33N3O5/c1-4-5-6-13-31-21-19(29-3)8-7-17-16-18(23(28)25(2)20(17)21)22(27)24-9-10-26-11-14-30-15-12-26/h7-8,16H,4-6,9-15H2,1-3H3,(H,24,27)
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0.0850n/an/an/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 19: 5698-707 (2011)


Article DOI: 10.1016/j.bmc.2011.07.062
BindingDB Entry DOI: 10.7270/Q2GH9JC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50073005
PNG
(CHEMBL3410729)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)oc12
Show InChI InChI=1S/C24H25NO7/c1-3-4-5-10-29-22-19(28-2)9-7-16-12-17(24(27)32-21(16)22)23(26)25-13-15-6-8-18-20(11-15)31-14-30-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,26)
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0.0869n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
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