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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'andrzejak' 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))
BDBM50397390
PNG
(CHEMBL2170545)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C |TLB:20:19:17:13.14.15,THB:20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,10:11:17:13.14.15,(25.24,-38.56,;26.58,-39.34,;27.92,-38.57,;29.25,-39.35,;30.6,-38.58,;31.93,-39.36,;33.27,-38.58,;34.61,-39.36,;35.95,-38.59,;35.95,-37.05,;37.29,-39.37,;38.73,-38.65,;39.88,-37.52,;41.08,-38.03,;42.39,-37.76,;42.46,-36.35,;41.19,-35.76,;39.93,-36.15,;40.18,-36.86,;40.13,-38.32,;41.4,-38.9,;34.61,-40.91,;35.94,-41.68,;33.26,-41.67,;31.93,-40.9,;30.59,-41.67,)|
Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-13-19(20(25)7-14(24)2)22(26)23-21-17-9-15-8-16(11-17)12-18(21)10-15/h7,13,15-18,21H,3-6,8-12H2,1-2H3,(H,23,26)
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0.260n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397387
PNG
(CHEMBL2170532)
Show SMILES Cc1cc(=O)c(cn1CCCC(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C21H27F3N2O2/c1-13-5-18(27)17(12-26(13)4-2-3-21(22,23)24)19(28)25-20-9-14-6-15(10-20)8-16(7-14)11-20/h5,12,14-16H,2-4,6-11H2,1H3,(H,25,28)
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0.280n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334590
PNG
(CHEMBL1641956 | N3-(1-Adamantyl)-6-(2-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-6-9-30-17-22(25(31)13-24(30)21-7-4-5-8-23(21)28)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,7-8,13,17-20H,2-3,6,9-12,14-16H2,1H3,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334589
PNG
(CHEMBL1641955 | N3-(1-Adamantyl)-6-(3-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-8-30-17-23(25(31)13-24(30)21-6-5-7-22(28)12-21)26(32)29-27-14-18-9-19(15-27)11-20(10-18)16-27/h5-7,12-13,17-20H,2-4,8-11,14-16H2,1H3,(H,29,32)
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1.80n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
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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3.10n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334567
PNG
(CHEMBL1641945 | N3-(1-Adamantyl)-4-oxo-1-pentyl-6-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H34N2O2/c1-2-3-7-10-29-18-23(25(30)14-24(29)22-8-5-4-6-9-22)26(31)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,31)
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4n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397391
PNG
(CHEMBL2170544)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C24H36N2O2/c1-4-5-6-7-26-15-21(22(27)8-16(26)2)23(28)25-17(3)24-12-18-9-19(13-24)11-20(10-18)14-24/h8,15,17-20H,4-7,9-14H2,1-3H3,(H,25,28)
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6.40n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334565
PNG
(CHEMBL1641943 | N3-(1-(3,5-Dimethyl)adamantyl)-4-o...)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:20:19:15:23.13.12,11:12:15.14.21:18,THB:13:14:18:23.12.22,13:12:15.14.21:18,11:12:15:21.19.18,22:12:15:21.19.18,22:19:15:23.13.12|
Show InChI InChI=1S/C30H40N2O2/c1-4-5-9-12-32-17-24(26(33)13-25(32)23-10-7-6-8-11-23)27(34)31-21-30-16-22-14-28(2,19-30)18-29(3,15-22)20-30/h6-8,10-11,13,17,22H,4-5,9,12,14-16,18-21H2,1-3H3,(H,31,34)
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6.60n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397396
PNG
(CHEMBL2170550)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C27H42N2O2/c1-6-7-8-9-29-17-22(23(30)13-24(29)26(3,4)5)25(31)28-18(2)27-14-19-10-20(15-27)12-21(11-19)16-27/h13,17-21H,6-12,14-16H2,1-5H3,(H,28,31)
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9n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
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



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397393
PNG
(CHEMBL2170547)
Show SMILES CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
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9.20n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397395
PNG
(CHEMBL2170549)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C(C)(C)C |TLB:20:19:17:13.14.15,THB:10:11:17:13.14.15,20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,(4.03,-16.9,;5.37,-17.68,;6.72,-16.91,;8.05,-17.69,;9.39,-16.91,;10.72,-17.69,;12.07,-16.92,;13.41,-17.7,;14.74,-16.93,;14.75,-15.38,;16.08,-17.71,;17.52,-16.99,;18.67,-15.86,;19.88,-16.36,;21.18,-16.1,;21.25,-14.69,;19.98,-14.1,;18.72,-14.49,;18.98,-15.2,;18.92,-16.66,;20.19,-17.24,;13.4,-19.24,;14.74,-20.02,;12.06,-20.01,;10.72,-19.24,;9.38,-20,;9.38,-21.54,;8.05,-19.23,;8.04,-20.77,)|
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-27-15-20(21(28)14-22(27)25(2,3)4)24(29)26-23-18-10-16-9-17(12-18)13-19(23)11-16/h14-19,23H,5-13H2,1-4H3,(H,26,29)
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9.60n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334570
PNG
((R)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m1/s1
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10.1n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397397
PNG
(CHEMBL2170551)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C26H40N2O2/c1-5-6-7-8-28-16-21(22(29)12-23(28)25(2,3)4)24(30)27-17-26-13-18-9-19(14-26)11-20(10-18)15-26/h12,16,18-20H,5-11,13-15,17H2,1-4H3,(H,27,30)
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10.2n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334569
PNG
(CHEMBL1641947 | N3-(Cyclohexyl)-4-oxo-1-pentyl-6-p...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(23(27)24-19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)
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10.6n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334591
PNG
(CHEMBL1641957 | N3-(1-Adamantyl)-6-(4-methylphenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C28H36N2O2/c1-3-4-5-10-30-18-24(26(31)14-25(30)23-8-6-19(2)7-9-23)27(32)29-28-15-20-11-21(16-28)13-22(12-20)17-28/h6-9,14,18,20-22H,3-5,10-13,15-17H2,1-2H3,(H,29,32)
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13.2n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334568
PNG
(CHEMBL1641946 | N3-(1-Adamantyl)-1-hexyl-4-oxo-6-p...)
Show SMILES CCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:15:16:14.13.19:20,THB:17:16:13:19.18.20,17:18:15.16.21:13,15:14:16.21.17:20|
Show InChI InChI=1S/C28H36N2O2/c1-2-3-4-8-11-30-19-24(26(31)15-25(30)23-9-6-5-7-10-23)27(32)29-28-16-20-12-21(17-28)14-22(13-20)18-28/h5-7,9-10,15,19-22H,2-4,8,11-14,16-18H2,1H3,(H,29,32)
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13.5n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397394
PNG
(CHEMBL2170548)
Show SMILES CCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C19H30N2O2/c1-5-6-7-10-21-13-15(18(23)20-12-14-8-9-14)16(22)11-17(21)19(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,20,23)
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14.1n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334583
PNG
((R,S)-N3-(1-(1-Adamantyl)ethyl)-4-oxo-1-pentyl-6-p...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,11:13:16:20.19.18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C29H38N2O2/c1-3-4-8-11-31-19-25(27(32)15-26(31)24-9-6-5-7-10-24)28(33)30-20(2)29-16-21-12-22(17-29)14-23(13-21)18-29/h5-7,9-10,15,19-23H,3-4,8,11-14,16-18H2,1-2H3,(H,30,33)
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14.3n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397392
PNG
(CHEMBL2170546)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C23H34N2O2/c1-3-4-5-6-25-14-20(21(26)7-16(25)2)22(27)24-15-23-11-17-8-18(12-23)10-19(9-17)13-23/h7,14,17-19H,3-6,8-13,15H2,1-2H3,(H,24,27)
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15.2n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
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



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334566
PNG
(CHEMBL1641944 | N3-(1-Adamantyl)-1-butyl-4-oxo-6-p...)
Show SMILES CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:13:14:12.11.17:18,THB:15:14:11:17.16.18,15:16:13.14.19:11,13:12:14.19.15:18|
Show InChI InChI=1S/C26H32N2O2/c1-2-3-9-28-17-22(24(29)13-23(28)21-7-5-4-6-8-21)25(30)27-26-14-18-10-19(15-26)12-20(11-18)16-26/h4-8,13,17-20H,2-3,9-12,14-16H2,1H3,(H,27,30)
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18.4n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334577
PNG
(CHEMBL1641959 | N3-(1-Adamantyl)-1-pentyl-6-phenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=S)cc1-c1ccccc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H34N2OS/c1-2-3-7-10-29-18-23(25(31)14-24(29)22-8-5-4-6-9-22)26(30)28-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-6,8-9,14,18-21H,2-3,7,10-13,15-17H2,1H3,(H,28,30)
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18.8n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334586
PNG
(CHEMBL1641936 | N3-(1-Adamantyl)-6-methyl-1-pentyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-14-19(20(25)7-15(24)2)21(26)23-22-11-16-8-17(12-22)10-18(9-16)13-22/h7,14,16-18H,3-6,8-13H2,1-2H3,(H,23,26)
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20n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334581
PNG
((6aR,10aR)-6,6-dimethyl-3-(2-methylpentan-2-yl)-6a...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1 |r|
Show InChI InChI=1S/C21H30O2/c1-6-11-20(2,3)14-7-9-16-17-13-15(22)8-10-18(17)21(4,5)23-19(16)12-14/h7,9,12,17-18H,6,8,10-11,13H2,1-5H3/t17-,18+/m0/s1
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20.3n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397386
PNG
(CHEMBL2170530)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(I)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C22H31IN2O2/c1-3-4-5-6-25-13-18(20(26)19(23)14(25)2)21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h13,15-17H,3-12H2,1-2H3,(H,24,27)
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20.8n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334582
PNG
(CHEMBL1641942 | N3-((1-Adamantyl)methyl)-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,11:12:15:19.18.17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C28H36N2O2/c1-2-3-7-10-30-18-24(26(31)14-25(30)23-8-5-4-6-9-23)27(32)29-19-28-15-20-11-21(16-28)13-22(12-20)17-28/h4-6,8-9,14,18,20-22H,2-3,7,10-13,15-17,19H2,1H3,(H,29,32)
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23.3n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397388
PNG
(CHEMBL2170534)
Show SMILES Cc1cc(=O)c(cn1CC1CCOCC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C23H32N2O3/c1-15-6-21(26)20(14-25(15)13-16-2-4-28-5-3-16)22(27)24-23-10-17-7-18(11-23)9-19(8-17)12-23/h6,14,16-19H,2-5,7-13H2,1H3,(H,24,27)
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24.1n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397389
PNG
(CHEMBL2170542)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C
Show InChI InChI=1S/C18H28N2O2/c1-3-4-8-11-20-13-16(17(21)12-14(20)2)18(22)19-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,19,22)
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24.4n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334573
PNG
(4-Oxo-1-pentyl-6-phenyl-N3-(3(trifluoromethyl)phen...)
Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C24H23F3N2O2/c1-2-3-7-13-29-16-20(22(30)15-21(29)17-9-5-4-6-10-17)23(31)28-19-12-8-11-18(14-19)24(25,26)27/h4-6,8-12,14-16H,2-3,7,13H2,1H3,(H,28,31)
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25.8n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334584
PNG
(CHEMBL1641938 | N3-(Cyclohexyl)-6-tert-butyl-1-pen...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H34N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h14-16H,5-13H2,1-4H3,(H,22,25)
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29n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334585
PNG
(CHEMBL1641937 | N3-(1-Adamantyl)-6-tert-butyl-1-pe...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1C(C)(C)C |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C25H38N2O2/c1-5-6-7-8-27-16-20(21(28)12-22(27)24(2,3)4)23(29)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h12,16-19H,5-11,13-15H2,1-4H3,(H,26,29)
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29n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334590
PNG
(CHEMBL1641956 | N3-(1-Adamantyl)-6-(2-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-6-9-30-17-22(25(31)13-24(30)21-7-4-5-8-23(21)28)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,7-8,13,17-20H,2-3,6,9-12,14-16H2,1H3,(H,29,32)
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34.4n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397385
PNG
(CHEMBL2170529)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccncc2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H35N3O2/c1-3-4-5-10-30-17-23(25(31)24(18(30)2)22-6-8-28-9-7-22)26(32)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h6-9,17,19-21H,3-5,10-16H2,1-2H3,(H,29,32)
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36.5n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334578
PNG
(CHEMBL1641960 | N3-(Cyclohexyl)-1-pentyl-6-phenyl-...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=S)cc1-c1ccccc1
Show InChI InChI=1S/C23H30N2OS/c1-2-3-10-15-25-17-20(23(26)24-19-13-8-5-9-14-19)22(27)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,26)
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48n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334580
PNG
(CHEMBL1641962 | N-(4-Oxo-1-pentyl-6-phenyl-1,4-dih...)
Show SMILES CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(24-23(27)19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)
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51n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334589
PNG
(CHEMBL1641955 | N3-(1-Adamantyl)-6-(3-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1cccc(Cl)c1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-8-30-17-23(25(31)13-24(30)21-6-5-7-22(28)12-21)26(32)29-27-14-18-9-19(15-27)11-20(10-18)16-27/h5-7,12-13,17-20H,2-4,8-11,14-16H2,1H3,(H,29,32)
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51.2n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
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



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
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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52.4n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397384
PNG
(CHEMBL2170528)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(c1C)-c1ccc(CC)cc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H40N2O2/c1-4-6-7-12-32-19-26(28(33)27(20(32)3)25-10-8-21(5-2)9-11-25)29(34)31-30-16-22-13-23(17-30)15-24(14-22)18-30/h8-11,19,22-24H,4-7,12-18H2,1-3H3,(H,31,34)
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54.3n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334575
PNG
(6-(4-Chlorophenyl)-N3-cyclohexyl-4-oxo-1-pentyl-1,...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H29ClN2O2/c1-2-3-7-14-26-16-20(23(28)25-19-8-5-4-6-9-19)22(27)15-21(26)17-10-12-18(24)13-11-17/h10-13,15-16,19H,2-9,14H2,1H3,(H,25,28)
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78n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334574
PNG
(CHEMBL1641952 | N3-(1-Adamantyl)-6-(4-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-4-9-30-17-23(25(31)13-24(30)21-5-7-22(28)8-6-21)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,29,32)
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79n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50397393
PNG
(CHEMBL2170547)
Show SMILES CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H28N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3,(H,22,25)
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87.9n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334592
PNG
(CHEMBL1641958 | N3-(1-Adamantyl)-6-(4-methoxypheny...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C28H36N2O3/c1-3-4-5-10-30-18-24(26(31)14-25(30)22-6-8-23(33-2)9-7-22)27(32)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h6-9,14,18-21H,3-5,10-13,15-17H2,1-2H3,(H,29,32)
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91.1n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334572
PNG
(4-Oxo-1-pentyl-6-phenyl-N3-(piperidin-1-yl)-1,4-di...)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C22H29N3O2/c1-2-3-8-13-24-17-19(22(27)23-25-14-9-5-10-15-25)21(26)16-20(24)18-11-6-4-7-12-18/h4,6-7,11-12,16-17H,2-3,5,8-10,13-15H2,1H3,(H,23,27)
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92n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50397383
PNG
(CHEMBL2170526)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(C2CC2)c1C |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H36N2O2/c1-3-4-5-8-27-15-21(23(28)22(16(27)2)20-6-7-20)24(29)26-25-12-17-9-18(13-25)11-19(10-17)14-25/h15,17-20H,3-14H2,1-2H3,(H,26,29)
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105n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334570
PNG
((R)-4-Oxo-1-pentyl-6-phenyl-N3-(1-(1,2,3,4-tetrahy...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2CCCc3ccccc23)c(=O)cc1-c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-2-3-9-17-29-19-23(26(30)18-25(29)21-12-5-4-6-13-21)27(31)28-24-16-10-14-20-11-7-8-15-22(20)24/h4-8,11-13,15,18-19,24H,2-3,9-10,14,16-17H2,1H3,(H,28,31)/t24-/m1/s1
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131n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334591
PNG
(CHEMBL1641957 | N3-(1-Adamantyl)-6-(4-methylphenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(C)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C28H36N2O2/c1-3-4-5-10-30-18-24(26(31)14-25(30)23-8-6-19(2)7-9-23)27(32)29-28-15-20-11-21(16-28)13-22(12-20)17-28/h6-9,14,18,20-22H,3-5,10-13,15-17H2,1-2H3,(H,29,32)
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134n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50397394
PNG
(CHEMBL2170548)
Show SMILES CCCCCn1cc(C(=O)NCC2CC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C19H30N2O2/c1-5-6-7-10-21-13-15(18(23)20-12-14-8-9-14)16(22)11-17(21)19(2,3)4/h11,13-14H,5-10,12H2,1-4H3,(H,20,23)
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176n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
More data for this
Ligand-Target Pair
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