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7 similar compounds to monomer 50244180

Compile data set for download or QSAR
Wt: 446.5
BDBM50244214
Wt: 406.5
BDBM50244179
Wt: 420.5
BDBM50244181
Wt: 363.4
BDBM50244137
Wt: 377.4
BDBM50244138
Wt: 335.4
BDBM50244139
Wt: 419.5
BDBM50244140

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50244214,50244179,50244181,50244137,50244138,50244139,50244140   
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))
BDBM50244214
PNG
(CHEMBL458142 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H34N4O2/c1-3-33-23-12-9-20(10-13-23)17-26-28-24-18-22(11-14-25(24)31(26)19-21-7-8-21)29(2)27(32)30-15-5-4-6-16-30/h9-14,18,21H,3-8,15-17,19H2,1-2H3
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4n/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))
BDBM50244140
PNG
(CHEMBL517283 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)CC(C)C)cc1
Show InChI InChI=1S/C26H33N3O2/c1-5-31-22-11-8-19(9-12-22)15-25-27-23-16-21(28(4)26(30)14-18(2)3)10-13-24(23)29(25)17-20-6-7-20/h8-13,16,18,20H,5-7,14-15,17H2,1-4H3
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4n/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))
BDBM50244181
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C25H32N4O2/c1-5-31-21-11-8-18(9-12-21)14-24-27-22-15-20(28(4)25(30)26-17(2)3)10-13-23(22)29(24)16-19-6-7-19/h8-13,15,17,19H,5-7,14,16H2,1-4H3,(H,26,30)
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5.70n/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))
BDBM50244179
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N(C)C)cc1
Show InChI InChI=1S/C24H30N4O2/c1-5-30-20-11-8-17(9-12-20)14-23-25-21-15-19(27(4)24(29)26(2)3)10-13-22(21)28(23)16-18-6-7-18/h8-13,15,18H,5-7,14,16H2,1-4H3
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41n/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))
BDBM50244138
PNG
(CHEMBL461921 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(C)=O)cc1
Show InChI InChI=1S/C23H27N3O2/c1-4-28-20-10-7-17(8-11-20)13-23-24-21-14-19(25(3)16(2)27)9-12-22(21)26(23)15-18-5-6-18/h7-12,14,18H,4-6,13,15H2,1-3H3
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1.35E+3n/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))
BDBM50244214
PNG
(CHEMBL458142 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H34N4O2/c1-3-33-23-12-9-20(10-13-23)17-26-28-24-18-22(11-14-25(24)31(26)19-21-7-8-21)29(2)27(32)30-15-5-4-6-16-30/h9-14,18,21H,3-8,15-17,19H2,1-2H3
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3.48E+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 2


(Homo sapiens (Human))
BDBM50244139
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-methyl-...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC)ccc3n2CC2CC2)cc1
Show InChI InChI=1S/C21H25N3O/c1-3-25-18-9-6-15(7-10-18)12-21-23-19-13-17(22-2)8-11-20(19)24(21)14-16-4-5-16/h6-11,13,16,22H,3-5,12,14H2,1-2H3
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4.34E+3n/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))
BDBM50244137
PNG
(CHEMBL518814 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(C)=O)ccc3n2CC2CC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-3-27-19-9-6-16(7-10-19)12-22-24-20-13-18(23-15(2)26)8-11-21(20)25(22)14-17-4-5-17/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,23,26)
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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))
BDBM50244138
PNG
(CHEMBL461921 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(C)=O)cc1
Show InChI InChI=1S/C23H27N3O2/c1-4-28-20-10-7-17(8-11-20)13-23-24-21-14-19(25(3)16(2)27)9-12-22(21)26(23)15-18-5-6-18/h7-12,14,18H,4-6,13,15H2,1-3H3
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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))
BDBM50244139
PNG
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-methyl-...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC)ccc3n2CC2CC2)cc1
Show InChI InChI=1S/C21H25N3O/c1-3-25-18-9-6-15(7-10-18)12-21-23-19-13-17(22-2)8-11-20(19)24(21)14-16-4-5-16/h6-11,13,16,22H,3-5,12,14H2,1-2H3
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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))
BDBM50244140
PNG
(CHEMBL517283 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)CC(C)C)cc1
Show InChI InChI=1S/C26H33N3O2/c1-5-31-22-11-8-19(9-12-22)15-25-27-23-16-21(28(4)26(30)14-18(2)3)10-13-24(23)29(25)17-20-6-7-20/h8-13,16,18,20H,5-7,14-15,17H2,1-4H3
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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))
BDBM50244179
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N(C)C)cc1
Show InChI InChI=1S/C24H30N4O2/c1-5-30-20-11-8-17(9-12-20)14-23-25-21-15-19(27(4)24(29)26(2)3)10-13-22(21)28(23)16-18-6-7-18/h8-13,15,18H,5-7,14,16H2,1-4H3
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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))
BDBM50244181
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C25H32N4O2/c1-5-31-21-11-8-18(9-12-21)14-24-27-22-15-20(28(4)25(30)26-17(2)3)10-13-23(22)29(24)16-19-6-7-19/h8-13,15,17,19H,5-7,14,16H2,1-4H3,(H,26,30)
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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 2


(Homo sapiens (Human))
BDBM50244137
PNG
(CHEMBL518814 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(C)=O)ccc3n2CC2CC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-3-27-19-9-6-16(7-10-19)12-22-24-20-13-18(23-15(2)26)8-11-21(20)25(22)14-17-4-5-17/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,23,26)
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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 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))
BDBM50244140
PNG
(CHEMBL517283 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)CC(C)C)cc1
Show InChI InChI=1S/C26H33N3O2/c1-5-31-22-11-8-19(9-12-22)15-25-27-23-16-21(28(4)26(30)14-18(2)3)10-13-24(23)29(25)17-20-6-7-20/h8-13,16,18,20H,5-7,14-15,17H2,1-4H3
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n/an/an/an/a 2.70n/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))
BDBM50244214
PNG
(CHEMBL458142 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H34N4O2/c1-3-33-23-12-9-20(10-13-23)17-26-28-24-18-22(11-14-25(24)31(26)19-21-7-8-21)29(2)27(32)30-15-5-4-6-16-30/h9-14,18,21H,3-8,15-17,19H2,1-2H3
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n/an/an/an/a 3.30n/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))
BDBM50244179
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N(C)C)cc1
Show InChI InChI=1S/C24H30N4O2/c1-5-30-20-11-8-17(9-12-20)14-23-25-21-15-19(27(4)24(29)26(2)3)10-13-22(21)28(23)16-18-6-7-18/h8-13,15,18H,5-7,14,16H2,1-4H3
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n/an/an/an/a 36n/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))
BDBM50244181
PNG
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C25H32N4O2/c1-5-31-21-11-8-18(9-12-21)14-24-27-22-15-20(28(4)25(30)26-17(2)3)10-13-23(22)29(24)16-19-6-7-19/h8-13,15,17,19H,5-7,14,16H2,1-4H3,(H,26,30)
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n/an/an/an/a 6.40n/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