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PubMed code 22607668

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
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))
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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2n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384144
PNG
(CHEMBL2029719)
Show SMILES CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C28H39N3O3/c1-3-31(14-4-5-27(32)29-22-8-9-22)28(33)21-7-11-26-24(18-21)23-17-20(6-10-25(23)30(26)2)19-12-15-34-16-13-19/h7,11,18-20,22H,3-6,8-10,12-17H2,1-2H3,(H,29,32)
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2.80n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384161
PNG
(CHEMBL2029727)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)/t18-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384143
PNG
(CHEMBL2029718)
Show SMILES CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C27H37N3O3/c1-29(13-3-4-26(31)28-21-7-8-21)27(32)20-6-10-25-23(17-20)22-16-19(5-9-24(22)30(25)2)18-11-14-33-15-12-18/h6,10,17-19,21H,3-5,7-9,11-16H2,1-2H3,(H,28,31)
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7.10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384146
PNG
(CHEMBL2029722)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
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7.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50364920
PNG
(CHEMBL1950351)
Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
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9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50384159
PNG
(CHEMBL2029729)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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15.5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384160
PNG
(CHEMBL2029728)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)/t18-/m0/s1
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17.3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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19n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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21.5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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24.5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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26.3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384159
PNG
(CHEMBL2029729)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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29.3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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35n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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44.5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
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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46n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50384150
PNG
(CHEMBL2029726)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m0/s1
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49.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384148
PNG
(CHEMBL2029724)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)
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53.7n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364920
PNG
(CHEMBL1950351)
Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
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120n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384150
PNG
(CHEMBL2029726)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m0/s1
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177n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384162
PNG
(CHEMBL2029730)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m0/s1
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576n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384147
PNG
(CHEMBL2029723)
Show SMILES CN(CCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-28(12-9-25(30)27-20-5-6-20)26(31)19-4-8-24-22(16-19)21-15-18(3-7-23(21)29(24)2)17-10-13-32-14-11-17/h4,8,16-18,20H,3,5-7,9-15H2,1-2H3,(H,27,30)
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655n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384145
PNG
(CHEMBL2029720)
Show SMILES Cn1c2CCC(Cc2c2cc(ccc12)C(=O)NCCCC(=O)NC1CC1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-29-23-8-4-18(17-10-13-32-14-11-17)15-21(23)22-16-19(5-9-24(22)29)26(31)27-12-2-3-25(30)28-20-6-7-20/h5,9,16-18,20H,2-4,6-8,10-15H2,1H3,(H,27,31)(H,28,30)
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1.44E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50364920
PNG
(CHEMBL1950351)
Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50384159
PNG
(CHEMBL2029729)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384145
PNG
(CHEMBL2029720)
Show SMILES Cn1c2CCC(Cc2c2cc(ccc12)C(=O)NCCCC(=O)NC1CC1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-29-23-8-4-18(17-10-13-32-14-11-17)15-21(23)22-16-19(5-9-24(22)29)26(31)27-12-2-3-25(30)28-20-6-7-20/h5,9,16-18,20H,2-4,6-8,10-15H2,1H3,(H,27,31)(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384153
PNG
(CHEMBL2029735)
Show SMILES CN([C@H](CO)CCC(=O)NCCF)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H38FN3O4/c1-30(21(17-32)5-8-26(33)29-12-11-28)27(34)20-4-7-25-23(16-20)22-15-19(3-6-24(22)31(25)2)18-9-13-35-14-10-18/h4,7,16,18-19,21,32H,3,5-6,8-15,17H2,1-2H3,(H,29,33)/t19-,21+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384157
PNG
(CHEMBL2029739)
Show SMILES CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384156
PNG
(CHEMBL2029738)
Show SMILES CN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H37N3O4/c1-28(12-3-4-25(31)27-11-13-30)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)29(24)2)18-9-14-33-15-10-18/h6,8,17-19,30H,3-5,7,9-16H2,1-2H3,(H,27,31)/t19-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384158
PNG
(CHEMBL2029899)
Show SMILES CONC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O4/c1-27(12-4-5-24(29)26-31-3)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)2)17-10-13-32-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384150
PNG
(CHEMBL2029726)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384147
PNG
(CHEMBL2029723)
Show SMILES CN(CCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-28(12-9-25(30)27-20-5-6-20)26(31)19-4-8-24-22(16-19)21-15-18(3-7-23(21)29(24)2)17-10-13-32-14-11-17/h4,8,16-18,20H,3,5-7,9-15H2,1-2H3,(H,27,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384155
PNG
(CHEMBL2029737)
Show SMILES CNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H37N3O4/c1-27-25(31)9-6-20(16-30)28(2)26(32)19-5-8-24-22(15-19)21-14-18(4-7-23(21)29(24)3)17-10-12-33-13-11-17/h5,8,15,17-18,20,30H,4,6-7,9-14,16H2,1-3H3,(H,27,31)/t18-,20+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384144
PNG
(CHEMBL2029719)
Show SMILES CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C28H39N3O3/c1-3-31(14-4-5-27(32)29-22-8-9-22)28(33)21-7-11-26-24(18-21)23-17-20(6-10-25(23)30(26)2)19-12-15-34-16-13-19/h7,11,18-20,22H,3-6,8-10,12-17H2,1-2H3,(H,29,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384154
PNG
(CHEMBL2029736)
Show SMILES CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H39N3O4/c1-4-28-26(32)10-7-21(17-31)29(2)27(33)20-6-9-25-23(16-20)22-15-19(5-8-24(22)30(25)3)18-11-13-34-14-12-18/h6,9,16,18-19,21,31H,4-5,7-8,10-15,17H2,1-3H3,(H,28,32)/t19-,21+/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384151
PNG
(CHEMBL2029733)
Show SMILES CCN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H39N3O4/c1-3-30(13-4-5-26(32)28-12-14-31)27(33)21-7-9-25-23(18-21)22-17-20(6-8-24(22)29(25)2)19-10-15-34-16-11-19/h7,9,18-20,31H,3-6,8,10-17H2,1-2H3,(H,28,32)/t20-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384146
PNG
(CHEMBL2029722)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384152
PNG
(CHEMBL2029734)
Show SMILES CN(CCCC(=O)NC1COC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H37N3O4/c1-29(11-3-4-26(31)28-21-16-34-17-21)27(32)20-6-8-25-23(15-20)22-14-19(5-7-24(22)30(25)2)18-9-12-33-13-10-18/h6,8,15,18-19,21H,3-5,7,9-14,16-17H2,1-2H3,(H,28,31)/t19-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384143
PNG
(CHEMBL2029718)
Show SMILES CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C27H37N3O3/c1-29(13-3-4-26(31)28-21-7-8-21)27(32)20-6-10-25-23(17-20)22-16-19(5-9-24(22)30(25)2)18-11-14-33-15-12-18/h6,10,17-19,21H,3-5,7-9,11-16H2,1-2H3,(H,28,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384148
PNG
(CHEMBL2029724)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50384159
PNG
(CHEMBL2029729)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384153
PNG
(CHEMBL2029735)
Show SMILES CN([C@H](CO)CCC(=O)NCCF)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H38FN3O4/c1-30(21(17-32)5-8-26(33)29-12-11-28)27(34)20-4-7-25-23(16-20)22-15-19(3-6-24(22)31(25)2)18-9-13-35-14-10-18/h4,7,16,18-19,21,32H,3,5-6,8-15,17H2,1-2H3,(H,29,33)/t19-,21+/m1/s1
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n/an/an/an/a 61.4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384164
PNG
(CHEMBL2029732)
Show SMILES CN(CCCC(=O)NCCF)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H36FN3O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-16H2,1-2H3,(H,28,31)/t19-/m1/s1
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n/an/an/an/a 12.9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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n/an/an/an/a 95.3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384152
PNG
(CHEMBL2029734)
Show SMILES CN(CCCC(=O)NC1COC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H37N3O4/c1-29(11-3-4-26(31)28-21-16-34-17-21)27(32)20-6-8-25-23(15-20)22-14-19(5-7-24(22)30(25)2)18-9-12-33-13-10-18/h6,8,15,18-19,21H,3-5,7,9-14,16-17H2,1-2H3,(H,28,31)/t19-/m1/s1
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n/an/an/an/a 43.7n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384148
PNG
(CHEMBL2029724)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)
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n/an/an/an/a 78.9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384161
PNG
(CHEMBL2029727)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)/t18-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384163
PNG
(CHEMBL2029731)
Show SMILES CCN(CC(=O)NCCF)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H34FN3O3/c1-3-29(16-24(30)27-11-10-26)25(31)19-5-7-23-21(15-19)20-14-18(4-6-22(20)28(23)2)17-8-12-32-13-9-17/h5,7,15,17-18H,3-4,6,8-14,16H2,1-2H3,(H,27,30)/t18-/m1/s1
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n/an/an/an/a 9.80n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384159
PNG
(CHEMBL2029729)
Show SMILES CNC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O3/c1-26-24(29)5-4-12-27(2)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)3)17-10-13-31-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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n/an/an/an/a 51.4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
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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n/an/an/an/a 112n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384143
PNG
(CHEMBL2029718)
Show SMILES CN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C27H37N3O3/c1-29(13-3-4-26(31)28-21-7-8-21)27(32)20-6-10-25-23(17-20)22-16-19(5-9-24(22)30(25)2)18-11-14-33-15-12-18/h6,10,17-19,21H,3-5,7-9,11-16H2,1-2H3,(H,28,31)
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n/an/an/an/a 16.2n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384160
PNG
(CHEMBL2029728)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)/t18-/m0/s1
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n/an/an/an/a 24.2n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384144
PNG
(CHEMBL2029719)
Show SMILES CCN(CCCC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C28H39N3O3/c1-3-31(14-4-5-27(32)29-22-8-9-22)28(33)21-7-11-26-24(18-21)23-17-20(6-10-25(23)30(26)2)19-12-15-34-16-13-19/h7,11,18-20,22H,3-6,8-10,12-17H2,1-2H3,(H,29,32)
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n/an/an/an/a 2.90n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384157
PNG
(CHEMBL2029739)
Show SMILES CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1
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n/an/an/an/a 70.6n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/an/an/a 73n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384150
PNG
(CHEMBL2029726)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m0/s1
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n/an/an/an/a 446n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384149
PNG
(CHEMBL2029725)
Show SMILES CN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-27(15-24(29)26-19-5-6-19)25(30)18-4-8-23-21(14-18)20-13-17(3-7-22(20)28(23)2)16-9-11-31-12-10-16/h4,8,14,16-17,19H,3,5-7,9-13,15H2,1-2H3,(H,26,29)/t17-/m1/s1
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n/an/an/an/a 39.9n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384151
PNG
(CHEMBL2029733)
Show SMILES CCN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H39N3O4/c1-3-30(13-4-5-26(32)28-12-14-31)27(33)21-7-9-25-23(18-21)22-17-20(6-8-24(22)29(25)2)19-10-15-34-16-11-19/h7,9,18-20,31H,3-6,8,10-17H2,1-2H3,(H,28,32)/t20-/m1/s1
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n/an/an/an/a 30.7n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384158
PNG
(CHEMBL2029899)
Show SMILES CONC(=O)CCCN(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C25H35N3O4/c1-27(12-4-5-24(29)26-31-3)25(30)19-7-9-23-21(16-19)20-15-18(6-8-22(20)28(23)2)17-10-13-32-14-11-17/h7,9,16-18H,4-6,8,10-15H2,1-3H3,(H,26,29)/t18-/m1/s1
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n/an/an/an/a 291n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384156
PNG
(CHEMBL2029738)
Show SMILES CN(CCCC(=O)NCCO)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H37N3O4/c1-28(12-3-4-25(31)27-11-13-30)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)29(24)2)18-9-14-33-15-10-18/h6,8,17-19,30H,3-5,7,9-16H2,1-2H3,(H,27,31)/t19-/m1/s1
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n/an/an/an/a 173n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384155
PNG
(CHEMBL2029737)
Show SMILES CNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C26H37N3O4/c1-27-25(31)9-6-20(16-30)28(2)26(32)19-5-8-24-22(15-19)21-14-18(4-7-23(21)29(24)3)17-10-12-33-13-11-17/h5,8,15,17-18,20,30H,4,6-7,9-14,16H2,1-3H3,(H,27,31)/t18-,20+/m1/s1
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n/an/an/an/a 101n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384154
PNG
(CHEMBL2029736)
Show SMILES CCNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1 |r|
Show InChI InChI=1S/C27H39N3O4/c1-4-28-26(32)10-7-21(17-31)29(2)27(33)20-6-9-25-23(16-20)22-15-19(5-8-24(22)30(25)3)18-11-13-34-14-12-18/h6,9,16,18-19,21,31H,4-5,7-8,10-15,17H2,1-3H3,(H,28,32)/t19-,21+/m1/s1
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n/an/an/an/a 78.7n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50384146
PNG
(CHEMBL2029722)
Show SMILES CCN(CC(=O)NC1CC1)C(=O)c1ccc2n(C)c3CCC(Cc3c2c1)C1CCOCC1
Show InChI InChI=1S/C26H35N3O3/c1-3-29(16-25(30)27-20-6-7-20)26(31)19-5-9-24-22(15-19)21-14-18(4-8-23(21)28(24)2)17-10-12-32-13-11-17/h5,9,15,17-18,20H,3-4,6-8,10-14,16H2,1-2H3,(H,27,30)
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n/an/an/an/a 6.20n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364920
PNG
(CHEMBL1950351)
Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
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n/an/an/an/a 49n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as [35S]GTPgamma binding


Bioorg Med Chem Lett 22: 3884-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.128
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%