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11 similar compounds to monomer 50244353

Compile data set for download or QSAR
Wt: 435.6
BDBM50243961
Wt: 421.5
BDBM50244276
Wt: 405.5
BDBM50244277
Wt: 407.5
BDBM50243913
Wt: 422.5
BDBM50244215
Wt: 419.5
BDBM50244316
Wt: 377.4
BDBM50244057
Wt: 447.6
BDBM50244009
Wt: 441.5
BDBM50244351
Wt: 442.5
BDBM50244352
Wt: 458.5
BDBM50244354

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50243961,50244276,50244277,50243913,50244215,50244316,50244057,50244009,50244351,50244352,50244354   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244316
PNG
(2-(4-ethoxybenzyl)-1-(cyclobutylmethyl)-N,N-diethy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H33N3O2/c1-4-28(5-2)26(30)21-12-15-24-23(17-21)27-25(29(24)18-20-8-7-9-20)16-19-10-13-22(14-11-19)31-6-3/h10-15,17,20H,4-9,16,18H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244277
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dieth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3
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4.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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4.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243961
PNG
(2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3
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4.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244351
PNG
(2-(4-ethoxybenzyl)-1-benzyl-N,N-diethyl-1H-benzo[d...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C28H31N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h7-17,19H,4-6,18,20H2,1-3H3
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12n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243913
PNG
(2-(4-methoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC)cc3)nc2c1
Show InChI InChI=1S/C25H33N3O2/c1-6-27(7-2)25(29)20-10-13-23-22(17-20)26-24(28(23)15-14-18(3)4)16-19-8-11-21(30-5)12-9-19/h8-13,17-18H,6-7,14-16H2,1-5H3
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17n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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36n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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37n/an/an/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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38n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Cell Chem Biol 56: 8224-56 (2013)


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


(Homo sapiens (Human))
BDBM50244352
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-2-ylmeth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccn2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h7-16,18H,4-6,17,19H2,1-3H3
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39n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244009
PNG
(2-(4-(cyclopropylmethoxy)benzyl)-N,N-diethyl-1-iso...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC4CC4)cc3)nc2c1
Show InChI InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)23-11-14-26-25(18-23)29-27(31(26)16-15-20(3)4)17-21-9-12-24(13-10-21)33-19-22-7-8-22/h9-14,18,20,22H,5-8,15-17,19H2,1-4H3
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53n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244057
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-ethyl-1...)
Show SMILES CCNC(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
Show InChI InChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27)
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63n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244354
PNG
(2-(4-ethoxy-benzyl)-1-(1-oxy-pyridin-4-ylmethyl)-1...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2cc[n+]([O-])cc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O3/c1-4-29(5-2)27(32)22-9-12-25-24(18-22)28-26(17-20-7-10-23(11-8-20)34-6-3)31(25)19-21-13-15-30(33)16-14-21/h7-16,18H,4-6,17,19H2,1-3H3
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588n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244316
PNG
(2-(4-ethoxybenzyl)-1-(cyclobutylmethyl)-N,N-diethy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H33N3O2/c1-4-28(5-2)26(30)21-12-15-24-23(17-21)27-25(29(24)18-20-8-7-9-20)16-19-10-13-22(14-11-19)31-6-3/h10-15,17,20H,4-9,16,18H2,1-3H3
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3.12E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244009
PNG
(2-(4-(cyclopropylmethoxy)benzyl)-N,N-diethyl-1-iso...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC4CC4)cc3)nc2c1
Show InChI InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)23-11-14-26-25(18-23)29-27(31(26)16-15-20(3)4)17-21-9-12-24(13-10-21)33-19-22-7-8-22/h9-14,18,20,22H,5-8,15-17,19H2,1-4H3
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4.19E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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>4.60E+3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243961
PNG
(2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3
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4.68E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244351
PNG
(2-(4-ethoxybenzyl)-1-benzyl-N,N-diethyl-1H-benzo[d...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C28H31N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h7-17,19H,4-6,18,20H2,1-3H3
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4.77E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244277
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dieth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244057
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-ethyl-1...)
Show SMILES CCNC(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
Show InChI InChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27)
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50243913
PNG
(2-(4-methoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC)cc3)nc2c1
Show InChI InChI=1S/C25H33N3O2/c1-6-27(7-2)25(29)20-10-13-23-22(17-20)26-24(28(23)15-14-18(3)4)16-19-8-11-21(30-5)12-9-19/h8-13,17-18H,6-7,14-16H2,1-5H3
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244354
PNG
(2-(4-ethoxy-benzyl)-1-(1-oxy-pyridin-4-ylmethyl)-1...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2cc[n+]([O-])cc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O3/c1-4-29(5-2)27(32)22-9-12-25-24(18-22)28-26(17-20-7-10-23(11-8-20)34-6-3)31(25)19-21-13-15-30(33)16-14-21/h7-16,18H,4-6,17,19H2,1-3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244352
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-2-ylmeth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccn2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h7-16,18H,4-6,17,19H2,1-3H3
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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>5.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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6.31E+3n/an/an/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Diprenorphine from human mu opioid receptor expressed in HEK293-TSA cell membranes after 4 hrs by scintillation counting method


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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6.70E+3n/an/an/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Diprenorphine from human mu opioid receptor expressed in HEK293-TSA cell membranes after 4 hrs by scintillation counting method


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243913
PNG
(2-(4-methoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC)cc3)nc2c1
Show InChI InChI=1S/C25H33N3O2/c1-6-27(7-2)25(29)20-10-13-23-22(17-20)26-24(28(23)15-14-18(3)4)16-19-8-11-21(30-5)12-9-19/h8-13,17-18H,6-7,14-16H2,1-5H3
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n/an/an/an/a 7.30n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244215
PNG
(2-(4-ethoxybenzyl)-1-(2-(dimethylamino)ethyl)-N,N-...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-28(7-2)25(30)20-11-14-23-22(18-20)26-24(29(23)16-15-27(4)5)17-19-9-12-21(13-10-19)31-8-3/h9-14,18H,6-8,15-17H2,1-5H3
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n/an/an/an/a 38n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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n/an/an/an/a 2.90n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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n/an/an/an/a 141n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...


Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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n/an/a 40n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244352
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-2-ylmeth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccn2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h7-16,18H,4-6,17,19H2,1-3H3
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n/an/an/an/a 25n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244351
PNG
(2-(4-ethoxybenzyl)-1-benzyl-N,N-diethyl-1H-benzo[d...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2Cc2ccccc2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C28H31N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h7-17,19H,4-6,18,20H2,1-3H3
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n/an/an/an/a 1.10n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244316
PNG
(2-(4-ethoxybenzyl)-1-(cyclobutylmethyl)-N,N-diethy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H33N3O2/c1-4-28(5-2)26(30)21-12-15-24-23(17-21)27-25(29(24)18-20-8-7-9-20)16-19-10-13-22(14-11-19)31-6-3/h10-15,17,20H,4-9,16,18H2,1-3H3
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n/an/an/an/a 1.30n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244277
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dieth...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3
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n/an/an/an/a 2.10n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC iodide as substrate preincubated for 4.5 mins followed by substrate addition measured after 2.5 mins by Ellman's ...


J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244057
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-ethyl-1...)
Show SMILES CCNC(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1
Show InChI InChI=1S/C23H27N3O2/c1-3-24-23(27)18-9-12-21-20(14-18)25-22(26(21)15-17-5-6-17)13-16-7-10-19(11-8-16)28-4-2/h7-12,14,17H,3-6,13,15H2,1-2H3,(H,24,27)
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n/an/an/an/a 52n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50244276
PNG
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1
Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3
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Article
PubMed
n/an/an/an/a 3.24E+3n/an/an/an/a



Julius-Maximilians-Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in Sf9 cells coexpressing Galpha i2 assessed as Galpha GTPase activity using [gamma-33P]GTP by scint...


Bioorg Med Chem 22: 3938-46 (2014)


Article DOI: 10.1016/j.bmc.2014.06.008
BindingDB Entry DOI: 10.7270/Q2862J3W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244009
PNG
(2-(4-(cyclopropylmethoxy)benzyl)-N,N-diethyl-1-iso...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OCC4CC4)cc3)nc2c1
Show InChI InChI=1S/C28H37N3O2/c1-5-30(6-2)28(32)23-11-14-26-25(18-23)29-27(31(26)16-15-20(3)4)17-21-9-12-24(13-10-21)33-19-22-7-8-22/h9-14,18,20,22H,5-8,15-17,19H2,1-4H3
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UniChem

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Article
PubMed
n/an/an/an/a 43n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50243961
PNG
(2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...)
Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1
Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3
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Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Agonist activity at cloned human CB2 receptor in Sf9 cells assessed as stimulation of [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3695-700 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN
More data for this
Ligand-Target Pair