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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'benetti' and Initial = 'v'   
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))
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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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(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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0.180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
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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0.600n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258604
PNG
(CHEMBL467896 | N-Cycloheptyl-1-(p-fluorobenzyl)-1,...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C23H24FN3O2/c24-18-11-9-16(10-12-18)15-27-21-17(6-5-13-25-21)14-20(23(27)29)22(28)26-19-7-3-1-2-4-8-19/h5-6,9-14,19H,1-4,7-8,15H2,(H,26,28)
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0.700n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258654
PNG
(CHEMBL466047 | cis-N-(4-Methylcyclohexyl)-1-(p-flu...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |r,wD:4.7,1.0,(32.36,5.84,;31.02,5.07,;29.69,5.84,;28.35,5.07,;28.35,3.54,;29.69,2.76,;31.02,3.53,;27.02,2.76,;25.69,3.53,;25.68,5.07,;24.36,2.76,;23,3.53,;21.67,2.74,;20.33,3.51,;19,2.74,;19,1.19,;20.34,.42,;21.68,1.19,;23.02,.42,;23.02,-1.12,;24.36,-1.88,;24.36,-3.41,;25.69,-4.17,;27.02,-3.4,;28.36,-4.16,;27.01,-1.87,;25.69,-1.11,;24.36,1.2,;25.7,.43,)|
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19+
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0.700n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258652
PNG
(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |(3.5,6.21,;2.17,5.44,;2.17,3.9,;.84,3.13,;-.5,3.91,;-.5,5.44,;.83,6.21,;-1.83,3.14,;-3.17,3.9,;-3.17,5.44,;-4.5,3.13,;-5.85,3.91,;-7.19,3.12,;-8.52,3.88,;-9.85,3.11,;-9.85,1.57,;-8.52,.8,;-7.18,1.56,;-5.84,.8,;-5.83,-.74,;-4.49,-1.5,;-4.49,-3.04,;-3.16,-3.8,;-1.83,-3.02,;-.49,-3.79,;-1.84,-1.5,;-3.16,-.74,;-4.49,1.57,;-3.16,.81,)|
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)
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0.900n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195527
PNG
(CHEMBL387001 | N-cycloheptyl-1-(p-fluorobenzyl)-7-...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCCC1)c2=O
Show InChI InChI=1S/C24H26FN3O2/c1-16-8-13-20-22(29)21(24(30)27-19-6-4-2-3-5-7-19)15-28(23(20)26-16)14-17-9-11-18(25)12-10-17/h8-13,15,19H,2-7,14H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195516
PNG
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O |(20.1,4.38,;18.76,3.62,;18.75,2.08,;17.42,1.32,;16.08,2.1,;16.09,3.63,;17.43,4.39,;14.75,1.33,;13.42,2.1,;13.42,3.64,;12.08,1.34,;12.08,-.22,;10.73,-.99,;10.72,-2.53,;12.06,-3.3,;12.04,-4.84,;13.37,-5.61,;14.71,-4.85,;16.04,-5.62,;14.71,-3.3,;13.38,-2.53,;9.39,-.21,;8.06,-.98,;6.73,-.21,;5.39,-.98,;6.73,1.34,;8.06,2.11,;9.39,1.34,;10.73,2.12,;10.73,3.66,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30)
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258570
PNG
(CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O |(18.12,-5.63,;16.79,-6.4,;16.78,-7.94,;15.46,-8.71,;14.12,-7.93,;14.11,-6.4,;15.45,-5.63,;12.79,-8.71,;11.45,-7.94,;11.45,-6.4,;10.12,-8.71,;8.77,-7.94,;7.43,-8.72,;6.1,-7.96,;4.77,-8.73,;4.77,-10.28,;6.1,-11.05,;7.44,-10.28,;8.78,-11.05,;8.79,-12.59,;7.46,-13.36,;7.46,-14.9,;6.13,-15.67,;6.13,-17.21,;7.46,-17.98,;8.8,-17.21,;8.8,-15.66,;10.13,-10.27,;11.46,-11.03,)|
Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)
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1.90n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
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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2.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258527
PNG
(CHEMBL508336 | N-Cyclohexyl-1-(p-fluorobenzyl)-1,8...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27)
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2.20n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
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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3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258605
PNG
(CHEMBL467475 | N-Cycloheptyl-1-(2-morpholin-4-ylet...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c27-21(24-18-7-3-1-2-4-8-18)19-16-17-6-5-9-23-20(17)26(22(19)28)11-10-25-12-14-29-15-13-25/h5-6,9,16,18H,1-4,7-8,10-15H2,(H,24,27)
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3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195513
PNG
(CHEMBL217094 | N-cyclohexyl-7-chloro-1-(2-morpholi...)
Show SMILES Clc1ccc2c(c1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C22H28ClN3O3/c23-16-6-7-18-20(14-16)26(9-8-25-10-12-29-13-11-25)15-19(21(18)27)22(28)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,24,28)
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3.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50072769
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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3.90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50195527
PNG
(CHEMBL387001 | N-cycloheptyl-1-(p-fluorobenzyl)-7-...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCCC1)c2=O
Show InChI InChI=1S/C24H26FN3O2/c1-16-8-13-20-22(29)21(24(30)27-19-6-4-2-3-5-7-19)15-28(23(20)26-16)14-17-9-11-18(25)12-10-17/h8-13,15,19H,2-7,14H2,1H3,(H,27,30)
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4.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195517
PNG
(CHEMBL385808 | N-cyclohexyl-1-benzylquinolin-4(1H)...)
Show SMILES O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C23H24N2O2/c26-22-19-13-7-8-14-21(19)25(15-17-9-3-1-4-10-17)16-20(22)23(27)24-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18H,2,5-6,11-12,15H2,(H,24,27)
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4.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195514
PNG
(CHEMBL217266 | N-cycloheptyl-1-benzyl-7-methyl-1,8...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCCC1)c2=O
Show InChI InChI=1S/C24H27N3O2/c1-17-13-14-20-22(28)21(24(29)26-19-11-7-2-3-8-12-19)16-27(23(20)25-17)15-18-9-5-4-6-10-18/h4-6,9-10,13-14,16,19H,2-3,7-8,11-12,15H2,1H3,(H,26,29)
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5.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072769
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
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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5.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258608
PNG
(CHEMBL467681 | cis-N-(4-Methylcyclohexyl)-1-benzyl...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O |r,wD:4.7,1.0,(29.49,-41.69,;28.16,-42.46,;26.82,-41.69,;25.48,-42.46,;25.49,-43.98,;26.83,-44.76,;28.15,-44,;24.15,-44.76,;22.82,-43.99,;22.81,-42.45,;21.49,-44.77,;20.14,-43.99,;18.8,-44.78,;17.47,-44.01,;16.14,-44.78,;16.13,-46.33,;17.47,-47.1,;18.81,-46.33,;20.15,-47.1,;20.15,-48.64,;21.49,-49.4,;21.49,-50.93,;22.82,-51.7,;24.15,-50.92,;24.14,-49.39,;22.82,-48.63,;21.49,-46.32,;22.83,-47.09,)|
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19+
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5.80n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225152
PNG
(1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-...)
Show SMILES O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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6.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258606
PNG
(CHEMBL467476 | N-(4-Methylcyclohexyl)-1-benzyl-1,8...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O |(17.99,-33.21,;16.65,-33.98,;16.65,-35.52,;15.32,-36.29,;13.98,-35.51,;13.98,-33.98,;15.32,-33.21,;12.65,-36.28,;11.32,-35.51,;11.31,-33.97,;9.98,-36.29,;8.63,-35.51,;7.3,-36.3,;5.96,-35.54,;4.63,-36.31,;4.63,-37.85,;5.97,-38.62,;7.3,-37.85,;8.65,-38.62,;8.65,-40.16,;9.99,-40.92,;9.99,-42.45,;11.32,-43.22,;12.65,-42.44,;12.64,-40.91,;11.32,-40.16,;9.99,-37.84,;11.33,-38.61,)|
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)
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7.80n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258525
PNG
(CHEMBL466623 | N-cyclohexyl-1-(2-morpholin-4-yleth...)
Show SMILES O=C(NC1CCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C21H28N4O3/c26-20(23-17-6-2-1-3-7-17)18-15-16-5-4-8-22-19(16)25(21(18)27)10-9-24-11-13-28-14-12-24/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,23,26)
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7.90n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195511
PNG
(CHEMBL217549 | N-(4'-methylcyclohexyl)-1-(o-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccccc2F)c2nc(C)ccc2c1=O |(6.82,-7.93,;5.48,-8.69,;5.47,-10.23,;4.13,-10.99,;2.8,-10.21,;2.8,-8.67,;4.15,-7.91,;1.46,-10.97,;.13,-10.2,;.13,-8.66,;-1.21,-10.97,;-1.21,-12.52,;-2.56,-13.29,;-2.56,-14.83,;-1.23,-15.6,;-1.24,-17.14,;.08,-17.92,;1.42,-17.15,;1.42,-15.6,;.09,-14.84,;.09,-13.3,;-3.89,-12.52,;-5.22,-13.28,;-6.56,-12.51,;-7.89,-13.28,;-6.55,-10.97,;-5.23,-10.2,;-3.89,-10.96,;-2.55,-10.18,;-2.55,-8.64,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(H,27,30)
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8.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50195516
PNG
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O |(20.1,4.38,;18.76,3.62,;18.75,2.08,;17.42,1.32,;16.08,2.1,;16.09,3.63,;17.43,4.39,;14.75,1.33,;13.42,2.1,;13.42,3.64,;12.08,1.34,;12.08,-.22,;10.73,-.99,;10.72,-2.53,;12.06,-3.3,;12.04,-4.84,;13.37,-5.61,;14.71,-4.85,;16.04,-5.62,;14.71,-3.3,;13.38,-2.53,;9.39,-.21,;8.06,-.98,;6.73,-.21,;5.39,-.98,;6.73,1.34,;8.06,2.11,;9.39,1.34,;10.73,2.12,;10.73,3.66,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30)
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8.70n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258653
PNG
(CHEMBL512063 | trans-N-(4-Methylcyclohexyl)-1-(p-f...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |r,wU:4.7,wD:1.0,(18.09,5.74,;16.75,4.97,;15.42,5.74,;14.08,4.97,;14.08,3.44,;15.42,2.67,;16.75,3.43,;12.75,2.67,;11.42,3.44,;11.41,4.98,;10.09,2.66,;8.73,3.44,;7.4,2.65,;6.06,3.42,;4.73,2.64,;4.73,1.1,;6.07,.33,;7.4,1.1,;8.75,.33,;8.75,-1.21,;10.09,-1.97,;10.09,-3.5,;11.42,-4.27,;12.75,-3.49,;14.09,-4.25,;12.74,-1.96,;11.42,-1.2,;10.09,1.11,;11.43,.34,)|
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19-
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9n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50258604
PNG
(CHEMBL467896 | N-Cycloheptyl-1-(p-fluorobenzyl)-1,...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C23H24FN3O2/c24-18-11-9-16(10-12-18)15-27-21-17(6-5-13-25-21)14-20(23(27)29)22(28)26-19-7-3-1-2-4-8-19/h5-6,9-14,19H,1-4,7-8,15H2,(H,26,28)
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9.60n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195519
PNG
(CHEMBL384595 | N-cyclohexyl-7-methyl-1-benzyl-1,8-...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H25N3O2/c1-16-12-13-19-21(27)20(23(28)25-18-10-6-3-7-11-18)15-26(22(19)24-16)14-17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,18H,3,6-7,10-11,14H2,1H3,(H,25,28)
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10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225147
PNG
(1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-...)
Show SMILES COc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
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11n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195529
PNG
(CHEMBL386489 | N-cyclohexyl-1-(p-fluorbenzyl)-1,8-...)
Show SMILES Fc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3cccnc23)cc1
Show InChI InChI=1S/C22H22FN3O2/c23-16-10-8-15(9-11-16)13-26-14-19(20(27)18-7-4-12-24-21(18)26)22(28)25-17-5-2-1-3-6-17/h4,7-12,14,17H,1-3,5-6,13H2,(H,25,28)
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13n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195518
PNG
(CHEMBL216057 | N-cycloheptyl-1-(o-fluorbenzyl)-7-m...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccccc1F)cc(C(=O)NC1CCCCCC1)c2=O
Show InChI InChI=1S/C24H26FN3O2/c1-16-12-13-19-22(29)20(24(30)27-18-9-4-2-3-5-10-18)15-28(23(19)26-16)14-17-8-6-7-11-21(17)25/h6-8,11-13,15,18H,2-5,9-10,14H2,1H3,(H,27,30)
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13.4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
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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16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195528
PNG
(CHEMBL218295 | N-cyclohexyl-7-methyl-1-phenethyl-1...)
Show SMILES Cc1ccc2c(n1)n(CCc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C24H27N3O2/c1-17-12-13-20-22(28)21(24(29)26-19-10-6-3-7-11-19)16-27(23(20)25-17)15-14-18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,19H,3,6-7,10-11,14-15H2,1H3,(H,26,29)
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16.3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225152
PNG
(1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-...)
Show SMILES O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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17n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50258605
PNG
(CHEMBL467475 | N-Cycloheptyl-1-(2-morpholin-4-ylet...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c27-21(24-18-7-3-1-2-4-8-18)19-16-17-6-5-9-23-20(17)26(22(19)28)11-10-25-12-14-29-15-13-25/h5-6,9,16,18H,1-4,7-8,10-15H2,(H,24,27)
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18n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195525
PNG
(CHEMBL216888 | N-cyclohexyl-7-chloro-1-(o-fluorben...)
Show SMILES Fc1ccccc1Cn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(Cl)nc12
Show InChI InChI=1S/C22H21ClFN3O2/c23-19-11-10-16-20(28)17(22(29)25-15-7-2-1-3-8-15)13-27(21(16)26-19)12-14-6-4-5-9-18(14)24/h4-6,9-11,13,15H,1-3,7-8,12H2,(H,25,29)
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18.1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
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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21n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195515
PNG
(CHEMBL217583 | N-cyclohexyl-7-chloro-1-(p-fluorben...)
Show SMILES Fc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccc(Cl)nc23)cc1
Show InChI InChI=1S/C22H21ClFN3O2/c23-19-11-10-17-20(28)18(22(29)25-16-4-2-1-3-5-16)13-27(21(17)26-19)12-14-6-8-15(24)9-7-14/h6-11,13,16H,1-5,12H2,(H,25,29)
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21.4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258572
PNG
(CHEMBL511253 | N-Cycloheptyl-1-benzyl-1,8-naphthyr...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c27-22(25-19-12-6-1-2-7-13-19)20-15-18-11-8-14-24-21(18)26(23(20)28)16-17-9-4-3-5-10-17/h3-5,8-11,14-15,19H,1-2,6-7,12-13,16H2,(H,25,27)
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22n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195522
PNG
(CHEMBL386725 | N-cyclohexyl-1-benzyl-7-chloro-1,8-...)
Show SMILES Clc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-11-17-20(27)18(22(28)24-16-9-5-2-6-10-16)14-26(21(17)25-19)13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10,13H2,(H,24,28)
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24.6n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225148
PNG
(CHEMBL250769 | N-cycloheptyl-1-(2-morpholinoethyl)...)
Show SMILES O=C(NC1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc2c1=O
Show InChI InChI=1S/C23H31N3O3/c27-22-19-9-5-6-10-21(19)26(12-11-25-13-15-29-16-14-25)17-20(22)23(28)24-18-7-3-1-2-4-8-18/h5-6,9-10,17-18H,1-4,7-8,11-16H2,(H,24,28)
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28n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258526
PNG
(CHEMBL446993 | N-Cyclohexyl-1-benzyl-1,8-naphthyri...)
Show SMILES O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H23N3O2/c26-21(24-18-11-5-2-6-12-18)19-14-17-10-7-13-23-20(17)25(22(19)27)15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,24,26)
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31n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195523
PNG
(CHEMBL216067 | N-cyclohexyl-7-methyl-1-(4-methoxyb...)
Show SMILES COc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccc(C)nc23)cc1
Show InChI InChI=1S/C24H27N3O3/c1-16-8-13-20-22(28)21(24(29)26-18-6-4-3-5-7-18)15-27(23(20)25-16)14-17-9-11-19(30-2)12-10-17/h8-13,15,18H,3-7,14H2,1-2H3,(H,26,29)
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35.8n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
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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36n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50195511
PNG
(CHEMBL217549 | N-(4'-methylcyclohexyl)-1-(o-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccccc2F)c2nc(C)ccc2c1=O |(6.82,-7.93,;5.48,-8.69,;5.47,-10.23,;4.13,-10.99,;2.8,-10.21,;2.8,-8.67,;4.15,-7.91,;1.46,-10.97,;.13,-10.2,;.13,-8.66,;-1.21,-10.97,;-1.21,-12.52,;-2.56,-13.29,;-2.56,-14.83,;-1.23,-15.6,;-1.24,-17.14,;.08,-17.92,;1.42,-17.15,;1.42,-15.6,;.09,-14.84,;.09,-13.3,;-3.89,-12.52,;-5.22,-13.28,;-6.56,-12.51,;-7.89,-13.28,;-6.55,-10.97,;-5.23,-10.2,;-3.89,-10.96,;-2.55,-10.18,;-2.55,-8.64,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(H,27,30)
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37.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50258607
PNG
(CHEMBL467680 | trans-N-(4-Methylcyclohexyl)-1-benz...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O |r,wU:4.7,wD:1.0,(31.87,-31.58,;30.54,-32.34,;29.2,-31.57,;27.86,-32.35,;27.87,-33.87,;29.21,-34.65,;30.53,-33.89,;26.53,-34.65,;25.2,-33.88,;25.19,-32.34,;23.87,-34.66,;22.52,-33.88,;21.18,-34.67,;19.85,-33.9,;18.52,-34.67,;18.51,-36.22,;19.85,-36.99,;21.19,-36.22,;22.53,-36.99,;22.53,-38.53,;23.87,-39.29,;23.87,-40.82,;25.2,-41.59,;26.53,-40.81,;26.52,-39.28,;25.2,-38.52,;23.87,-36.21,;25.21,-36.98,)|
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19-
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39.8n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195524
PNG
(CHEMBL216438 | N-(4'-methylcyclohexyl)-7-chloro-1-...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(CCN2CCOCC2)c2nc(Cl)ccc2c1=O |(9.93,-29.26,;8.6,-30.03,;8.6,-31.57,;7.26,-32.34,;5.93,-31.57,;5.93,-30.03,;7.26,-29.26,;4.6,-32.34,;3.26,-31.57,;3.26,-30.03,;1.93,-32.34,;1.93,-33.88,;.59,-34.65,;.59,-36.19,;1.93,-36.96,;1.93,-38.5,;3.26,-39.27,;3.26,-40.81,;1.93,-41.58,;.59,-40.81,;.59,-39.27,;-.74,-33.88,;-2.07,-34.65,;-3.41,-33.88,;-4.75,-34.65,;-3.41,-32.34,;-2.07,-31.57,;-.74,-32.34,;.59,-31.57,;.59,-30.03,)|
Show InChI InChI=1S/C22H29ClN4O3/c1-15-2-4-16(5-3-15)24-22(29)18-14-27(9-8-26-10-12-30-13-11-26)21-17(20(18)28)6-7-19(23)25-21/h6-7,14-16H,2-5,8-13H2,1H3,(H,24,29)
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40.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195520
PNG
(CHEMBL214511 | N-cyclohexyl-1-benzyl-1,8-naphthyri...)
Show SMILES O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2ncccc2c1=O
Show InChI InChI=1S/C22H23N3O2/c26-20-18-12-7-13-23-21(18)25(14-16-8-3-1-4-9-16)15-19(20)22(27)24-17-10-5-2-6-11-17/h1,3-4,7-9,12-13,15,17H,2,5-6,10-11,14H2,(H,24,27)
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48.6n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195526
PNG
(CHEMBL385508 | N-cyclopentyl-7-methyl-1-(2-morphol...)
Show SMILES Cc1ccc2c(n1)n(CCN1CCOCC1)cc(C(=O)NC1CCCC1)c2=O
Show InChI InChI=1S/C21H28N4O3/c1-15-6-7-17-19(26)18(21(27)23-16-4-2-3-5-16)14-25(20(17)22-15)9-8-24-10-12-28-13-11-24/h6-7,14,16H,2-5,8-13H2,1H3,(H,23,27)
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50n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
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