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PubMed code 17884494

Compile data set for download or QSAR
Found 79 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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2.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222785
PNG
((2-cyclopentyl-4-(isopropylsulfonyl)-1,2,3,4-tetra...)
Show SMILES CC(C)S(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C25H35N3O3S/c1-17(2)32(30,31)28-23-9-8-19(25(29)26-12-10-18(3)11-13-26)14-21(23)22-15-27(16-24(22)28)20-6-4-5-7-20/h8-9,14,17-18,20H,4-7,10-13,15-16H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222804
PNG
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222800
PNG
((2-allyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCS(=O)(=O)n1c2CN(CC=C)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H29N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h4,6-7,13,16H,1,5,8-12,14-15H2,2-3H3
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6.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222805
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
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7n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222797
PNG
((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222807
PNG
((4-(ethylsulfonyl)-2-isopropyl-1,2,3,4-tetrahydrop...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C(C)C
Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-7-6-17(22(26)23-10-8-16(4)9-11-23)12-18(20)19-13-24(15(2)3)14-21(19)25/h6-7,12,15-16H,5,8-11,13-14H2,1-4H3
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8.90n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222811
PNG
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3
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9.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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11.1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222809
PNG
((2-butyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H33N3O3S/c1-4-6-11-24-15-20-19-14-18(23(27)25-12-9-17(3)10-13-25)7-8-21(19)26(22(20)16-24)30(28,29)5-2/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3
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16.8n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222798
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCCC1
Show InChI InChI=1S/C23H31N3O3S/c1-2-30(28,29)26-21-11-10-17(23(27)24-12-6-3-7-13-24)14-19(21)20-15-25(16-22(20)26)18-8-4-5-9-18/h10-11,14,18H,2-9,12-13,15-16H2,1H3
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17.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222786
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-2-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCCO1 |w:26.29|
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-21-8-7-18(24(28)25-11-9-17(2)10-12-25)14-19(21)20-15-26(16-22(20)27)23-6-4-5-13-31-23/h7-8,14,17,23H,3-6,9-13,15-16H2,1-2H3
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17.6n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222810
PNG
((2-cyclopentyl-4-(phenylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-20-13-15-29(16-14-20)28(32)21-11-12-26-24(17-21)25-18-30(22-7-5-6-8-22)19-27(25)31(26)35(33,34)23-9-3-2-4-10-23/h2-4,9-12,17,20,22H,5-8,13-16,18-19H2,1H3
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17.9n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222787
PNG
((4bR,8aR)-6,9,9-trimethyl-2-pentyl-4b,7,8,8a,9,10-...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Cc2c1 |t:11|
Show InChI InChI=1S/C22H32O/c1-5-6-7-8-16-12-17-14-22(3,4)19-10-9-15(2)11-18(19)21(17)20(23)13-16/h11-13,18-19,23H,5-10,14H2,1-4H3/t18-,19-/m1/s1
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20.1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222795
PNG
((2-cyclopentyl-4-(propylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CCCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C25H35N3O3S/c1-3-14-32(30,31)28-23-9-8-19(25(29)26-12-10-18(2)11-13-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h8-9,15,18,20H,3-7,10-14,16-17H2,1-2H3
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22.3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222812
PNG
(CHEMBL399949 | N-butyl-2-cyclopentyl-4-(ethylsulfo...)
Show SMILES CCCCN(C)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)CC
Show InChI InChI=1S/C23H33N3O3S/c1-4-6-13-24(3)23(27)17-11-12-21-19(14-17)20-15-25(18-9-7-8-10-18)16-22(20)26(21)30(28,29)5-2/h11-12,14,18H,4-10,13,15-16H2,1-3H3
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22.3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222790
PNG
((4-allyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C25H33N3O/c1-3-12-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h3,8-9,15,18,20H,1,4-7,10-14,16-17H2,2H3
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23.3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222794
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3
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27.6n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222814
PNG
((4-(ethylsulfonyl)-2-(tetrahydrofuran-3-yl)-1,2,3,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1 |w:26.29|
Show InChI InChI=1S/C23H31N3O4S/c1-3-31(28,29)26-21-5-4-17(23(27)24-9-6-16(2)7-10-24)12-19(21)20-13-25(14-22(20)26)18-8-11-30-15-18/h4-5,12,16,18H,3,6-11,13-15H2,1-2H3
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27.8n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222789
PNG
((2-benzyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc3ccccc3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H31N3O3S/c1-3-33(31,32)29-24-10-9-21(26(30)28-13-11-19(2)12-14-28)15-22(24)23-17-27(18-25(23)29)16-20-7-5-4-6-8-20/h4-10,15,19H,3,11-14,16-18H2,1-2H3
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37n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222799
PNG
(2-cyclopentyl-4-(ethylsulfonyl)-N-isopentyl-N-meth...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N(C)CCC(C)C)C1CCCC1
Show InChI InChI=1S/C24H35N3O3S/c1-5-31(29,30)27-22-11-10-18(24(28)25(4)13-12-17(2)3)14-20(22)21-15-26(16-23(21)27)19-8-6-7-9-19/h10-11,14,17,19H,5-9,12-13,15-16H2,1-4H3
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38.1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
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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40.9n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222796
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(F)CC1)C1CCCC1
Show InChI InChI=1S/C23H30FN3O3S/c1-2-31(29,30)27-21-8-7-16(23(28)25-11-9-17(24)10-12-25)13-19(21)20-14-26(15-22(20)27)18-5-3-4-6-18/h7-8,13,17-18H,2-6,9-12,14-15H2,1H3
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44.2n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222805
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
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66.3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222801
PNG
((2-cyclopentyl-4-methyl-1,2,3,4-tetrahydropyrrolo[...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C23H31N3O/c1-16-9-11-25(12-10-16)23(27)17-7-8-21-19(13-17)20-14-26(15-22(20)24(21)2)18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3
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84.7n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222788
PNG
(1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3
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88.1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222808
PNG
((4-benzyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(Cc3ccccc3)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C29H35N3O/c1-21-13-15-30(16-14-21)29(33)23-11-12-27-25(17-23)26-19-31(24-9-5-6-10-24)20-28(26)32(27)18-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18-20H2,1H3
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106n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222802
PNG
(2-cyclopentyl-4-(ethylsulfonyl)-N-isopropyl-N-meth...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N(C)C(C)C)C1CCCC1
Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-11-10-16(22(26)23(4)15(2)3)12-18(20)19-13-24(14-21(19)25)17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3
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107n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222811
PNG
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3
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137n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222787
PNG
((4bR,8aR)-6,9,9-trimethyl-2-pentyl-4b,7,8,8a,9,10-...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Cc2c1 |t:11|
Show InChI InChI=1S/C22H32O/c1-5-6-7-8-16-12-17-14-22(3,4)19-10-9-15(2)11-18(19)21(17)20(23)13-16/h11-13,18-19,23H,5-10,14H2,1-4H3/t18-,19-/m1/s1
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140n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222785
PNG
((2-cyclopentyl-4-(isopropylsulfonyl)-1,2,3,4-tetra...)
Show SMILES CC(C)S(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C25H35N3O3S/c1-17(2)32(30,31)28-23-9-8-19(25(29)26-12-10-18(3)11-13-26)14-21(23)22-15-27(16-24(22)28)20-6-4-5-7-20/h8-9,14,17-18,20H,4-7,10-13,15-16H2,1-3H3
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150n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222804
PNG
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3
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176n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222795
PNG
((2-cyclopentyl-4-(propylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CCCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C25H35N3O3S/c1-3-14-32(30,31)28-23-9-8-19(25(29)26-12-10-18(2)11-13-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h8-9,15,18,20H,3-7,10-14,16-17H2,1-2H3
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195n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222806
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-4-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-5-4-18(24(28)25-10-6-17(2)7-11-25)14-20(22)21-15-26(16-23(21)27)19-8-12-31-13-9-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3
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216n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222810
PNG
((2-cyclopentyl-4-(phenylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-20-13-15-29(16-14-20)28(32)21-11-12-26-24(17-21)25-18-30(22-7-5-6-8-22)19-27(25)31(26)35(33,34)23-9-3-2-4-10-23/h2-4,9-12,17,20,22H,5-8,13-16,18-19H2,1H3
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259n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222800
PNG
((2-allyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCS(=O)(=O)n1c2CN(CC=C)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H29N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h4,6-7,13,16H,1,5,8-12,14-15H2,2-3H3
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263n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222797
PNG
((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3
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279n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222791
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCOCC1)C1CCCC1
Show InChI InChI=1S/C22H29N3O4S/c1-2-30(27,28)25-20-8-7-16(22(26)23-9-11-29-12-10-23)13-18(20)19-14-24(15-21(19)25)17-5-3-4-6-17/h7-8,13,17H,2-6,9-12,14-15H2,1H3
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308n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222803
PNG
((2-(cyclohexylmethyl)-4-(ethylsulfonyl)-1,2,3,4-te...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CCCCC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H37N3O3S/c1-3-33(31,32)29-24-10-9-21(26(30)28-13-11-19(2)12-14-28)15-22(24)23-17-27(18-25(23)29)16-20-7-5-4-6-8-20/h9-10,15,19-20H,3-8,11-14,16-18H2,1-2H3
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339n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222809
PNG
((2-butyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H33N3O3S/c1-4-6-11-24-15-20-19-14-18(23(27)25-12-9-17(3)10-13-25)7-8-21(19)26(22(20)16-24)30(28,29)5-2/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3
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341n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222807
PNG
((4-(ethylsulfonyl)-2-isopropyl-1,2,3,4-tetrahydrop...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C(C)C
Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-7-6-17(22(26)23-10-8-16(4)9-11-23)12-18(20)19-13-24(15(2)3)14-21(19)25/h6-7,12,15-16H,5,8-11,13-14H2,1-4H3
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418n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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604n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222808
PNG
((4-benzyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(Cc3ccccc3)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C29H35N3O/c1-21-13-15-30(16-14-21)29(33)23-11-12-27-25(17-23)26-19-31(24-9-5-6-10-24)20-28(26)32(27)18-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18-20H2,1H3
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658n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222790
PNG
((4-allyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C25H33N3O/c1-3-12-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h3,8-9,15,18,20H,1,4-7,10-14,16-17H2,2H3
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695n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222812
PNG
(CHEMBL399949 | N-butyl-2-cyclopentyl-4-(ethylsulfo...)
Show SMILES CCCCN(C)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)CC
Show InChI InChI=1S/C23H33N3O3S/c1-4-6-13-24(3)23(27)17-11-12-21-19(14-17)20-15-25(18-9-7-8-10-18)16-22(20)26(21)30(28,29)5-2/h11-12,14,18H,4-10,13,15-16H2,1-3H3
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779n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222798
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCCC1
Show InChI InChI=1S/C23H31N3O3S/c1-2-30(28,29)26-21-11-10-17(23(27)24-12-6-3-7-13-24)14-19(21)20-15-25(16-22(20)26)18-8-4-5-9-18/h10-11,14,18H,2-9,12-13,15-16H2,1H3
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818n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222803
PNG
((2-(cyclohexylmethyl)-4-(ethylsulfonyl)-1,2,3,4-te...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CCCCC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H37N3O3S/c1-3-33(31,32)29-24-10-9-21(26(30)28-13-11-19(2)12-14-28)15-22(24)23-17-27(18-25(23)29)16-20-7-5-4-6-8-20/h9-10,15,19-20H,3-8,11-14,16-18H2,1-2H3
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935n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222814
PNG
((4-(ethylsulfonyl)-2-(tetrahydrofuran-3-yl)-1,2,3,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOC1 |w:26.29|
Show InChI InChI=1S/C23H31N3O4S/c1-3-31(28,29)26-21-5-4-17(23(27)24-9-6-16(2)7-10-24)12-19(21)20-13-25(14-22(20)26)18-8-11-30-15-18/h4-5,12,16,18H,3,6-11,13-15H2,1-2H3
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973n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222789
PNG
((2-benzyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc3ccccc3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H31N3O3S/c1-3-33(31,32)29-24-10-9-21(26(30)28-13-11-19(2)12-14-28)15-22(24)23-17-27(18-25(23)29)16-20-7-5-4-6-8-20/h4-10,15,19H,3,11-14,16-18H2,1-2H3
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1.27E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222799
PNG
(2-cyclopentyl-4-(ethylsulfonyl)-N-isopentyl-N-meth...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N(C)CCC(C)C)C1CCCC1
Show InChI InChI=1S/C24H35N3O3S/c1-5-31(29,30)27-22-11-10-18(24(28)25(4)13-12-17(2)3)14-20(22)21-15-26(16-23(21)27)19-8-6-7-9-19/h10-11,14,17,19H,5-9,12-13,15-16H2,1-4H3
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1.47E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222801
PNG
((2-cyclopentyl-4-methyl-1,2,3,4-tetrahydropyrrolo[...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C23H31N3O/c1-16-9-11-25(12-10-16)23(27)17-7-8-21-19(13-17)20-14-26(15-22(20)24(21)2)18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3
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1.81E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222792
PNG
((2-(2-cyclohexylethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CCC3CCCCC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C27H39N3O3S/c1-3-34(32,33)30-25-10-9-22(27(31)29-15-11-20(2)12-16-29)17-23(25)24-18-28(19-26(24)30)14-13-21-7-5-4-6-8-21/h9-10,17,20-21H,3-8,11-16,18-19H2,1-2H3
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1.98E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222794
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3
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2.13E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222788
PNG
(1-(2-cyclopentyl-7-(4-methylpiperidine-1-carbonyl)...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(C(C)=O)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C24H31N3O2/c1-16-9-11-25(12-10-16)24(29)18-7-8-22-20(13-18)21-14-26(19-5-3-4-6-19)15-23(21)27(22)17(2)28/h7-8,13,16,19H,3-6,9-12,14-15H2,1-2H3
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2.33E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222792
PNG
((2-(2-cyclohexylethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CCC3CCCCC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C27H39N3O3S/c1-3-34(32,33)30-25-10-9-22(27(31)29-15-11-20(2)12-16-29)17-23(25)24-18-28(19-26(24)30)14-13-21-7-5-4-6-8-21/h9-10,17,20-21H,3-8,11-16,18-19H2,1-2H3
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2.74E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222796
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(F)CC1)C1CCCC1
Show InChI InChI=1S/C23H30FN3O3S/c1-2-31(29,30)27-21-8-7-16(23(28)25-11-9-17(24)10-12-25)13-19(21)20-14-26(15-22(20)27)18-5-3-4-6-18/h7-8,13,17-18H,2-6,9-12,14-15H2,1H3
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2.91E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222806
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-4-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-5-4-18(24(28)25-10-6-17(2)7-11-25)14-20(22)21-15-26(16-23(21)27)19-8-12-31-13-9-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3
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3.02E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222813
PNG
((2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3,4-b]ind...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2[nH]c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C22H29N3O/c1-15-8-10-24(11-9-15)22(26)16-6-7-20-18(12-16)19-13-25(14-21(19)23-20)17-4-2-3-5-17/h6-7,12,15,17,23H,2-5,8-11,13-14H2,1H3
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4.72E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222786
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-2-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCCO1 |w:26.29|
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-21-8-7-18(24(28)25-11-9-17(2)10-12-25)14-19(21)20-15-26(16-22(20)27)23-6-4-5-13-31-23/h7-8,14,17,23H,3-6,9-13,15-16H2,1-2H3
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6.18E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222802
PNG
(2-cyclopentyl-4-(ethylsulfonyl)-N-isopropyl-N-meth...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N(C)C(C)C)C1CCCC1
Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-11-10-16(22(26)23(4)15(2)3)12-18(20)19-13-24(14-21(19)25)17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3
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7.22E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222791
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCOCC1)C1CCCC1
Show InChI InChI=1S/C22H29N3O4S/c1-2-30(27,28)25-20-8-7-16(22(26)23-9-11-29-12-10-23)13-18(20)19-14-24(15-21(19)25)17-5-3-4-6-17/h7-8,13,17H,2-6,9-12,14-15H2,1H3
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>8.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50222813
PNG
((2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3,4-b]ind...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2[nH]c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C22H29N3O/c1-15-8-10-24(11-9-15)22(26)16-6-7-20-18(12-16)19-13-25(14-21(19)23-20)17-4-2-3-5-17/h6-7,12,15,17,23H,2-5,8-11,13-14H2,1H3
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>8.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222805
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C24H33N3O3S/c1-3-31(29,30)27-22-9-8-18(24(28)25-12-10-17(2)11-13-25)14-20(22)21-15-26(16-23(21)27)19-6-4-5-7-19/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3
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n/an/an/an/a 0.800n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
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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n/an/an/an/a 1.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222785
PNG
((2-cyclopentyl-4-(isopropylsulfonyl)-1,2,3,4-tetra...)
Show SMILES CC(C)S(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C25H35N3O3S/c1-17(2)32(30,31)28-23-9-8-19(25(29)26-12-10-18(3)11-13-26)14-21(23)22-15-27(16-24(22)28)20-6-4-5-7-20/h8-9,14,17-18,20H,4-7,10-13,15-16H2,1-3H3
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n/an/an/an/a 0.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222786
PNG
((4-(ethylsulfonyl)-2-(tetrahydro-2H-pyran-2-yl)-1,...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCCO1 |w:26.29|
Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-21-8-7-18(24(28)25-11-9-17(2)10-12-25)14-19(21)20-15-26(16-22(20)27)23-6-4-5-13-31-23/h7-8,14,17,23H,3-6,9-13,15-16H2,1-2H3
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n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222810
PNG
((2-cyclopentyl-4-(phenylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-20-13-15-29(16-14-20)28(32)21-11-12-26-24(17-21)25-18-30(22-7-5-6-8-22)19-27(25)31(26)35(33,34)23-9-3-2-4-10-23/h2-4,9-12,17,20,22H,5-8,13-16,18-19H2,1H3
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n/an/an/an/a 15.6n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222807
PNG
((4-(ethylsulfonyl)-2-isopropyl-1,2,3,4-tetrahydrop...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C(C)C
Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-7-6-17(22(26)23-10-8-16(4)9-11-23)12-18(20)19-13-24(15(2)3)14-21(19)25/h6-7,12,15-16H,5,8-11,13-14H2,1-4H3
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n/an/an/an/a 0.900n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222811
PNG
((2-cyclopentyl-4-(cyclopropylsulfonyl)-1,2,3,4-tet...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H33N3O3S/c1-17-10-12-26(13-11-17)25(29)18-6-9-23-21(14-18)22-15-27(19-4-2-3-5-19)16-24(22)28(23)32(30,31)20-7-8-20/h6,9,14,17,19-20H,2-5,7-8,10-13,15-16H2,1H3
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n/an/an/an/a 1.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222812
PNG
(CHEMBL399949 | N-butyl-2-cyclopentyl-4-(ethylsulfo...)
Show SMILES CCCCN(C)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(=O)(=O)CC
Show InChI InChI=1S/C23H33N3O3S/c1-4-6-13-24(3)23(27)17-11-12-21-19(14-17)20-15-25(18-9-7-8-10-18)16-22(20)26(21)30(28,29)5-2/h11-12,14,18H,4-10,13,15-16H2,1-3H3
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n/an/an/an/a 4n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222793
PNG
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)
Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3
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n/an/an/an/a 0.800n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222798
PNG
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)
Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCCCC1)C1CCCC1
Show InChI InChI=1S/C23H31N3O3S/c1-2-30(28,29)26-21-11-10-17(23(27)24-12-6-3-7-13-24)14-19(21)20-15-25(16-22(20)26)18-8-4-5-9-18/h10-11,14,18H,2-9,12-13,15-16H2,1H3
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n/an/an/an/a 1.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222809
PNG
((2-butyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H33N3O3S/c1-4-6-11-24-15-20-19-14-18(23(27)25-12-9-17(3)10-13-25)7-8-21(19)26(22(20)16-24)30(28,29)5-2/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3
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n/an/an/an/a 2.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222804
PNG
((2-(cyclopropylmethyl)-4-(ethylsulfonyl)-1,2,3,4-t...)
Show SMILES CCS(=O)(=O)n1c2CN(CC3CC3)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-21-7-6-18(23(27)25-10-8-16(2)9-11-25)12-19(21)20-14-24(15-22(20)26)13-17-4-5-17/h6-7,12,16-17H,3-5,8-11,13-15H2,1-2H3
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n/an/an/an/a 0.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222800
PNG
((2-allyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydropyrro...)
Show SMILES CCS(=O)(=O)n1c2CN(CC=C)Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C22H29N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h4,6-7,13,16H,1,5,8-12,14-15H2,2-3H3
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n/an/an/an/a 0.300n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222797
PNG
((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3
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n/an/an/an/a 0.600n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222787
PNG
((4bR,8aR)-6,9,9-trimethyl-2-pentyl-4b,7,8,8a,9,10-...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Cc2c1 |t:11|
Show InChI InChI=1S/C22H32O/c1-5-6-7-8-16-12-17-14-22(3,4)19-10-9-15(2)11-18(19)21(17)20(23)13-16/h11-13,18-19,23H,5-10,14H2,1-4H3/t18-,19-/m1/s1
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n/an/an/an/a 13.5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222795
PNG
((2-cyclopentyl-4-(propylsulfonyl)-1,2,3,4-tetrahyd...)
Show SMILES CCCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C25H35N3O3S/c1-3-14-32(30,31)28-23-9-8-19(25(29)26-12-10-18(2)11-13-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h8-9,15,18,20H,3-7,10-14,16-17H2,1-2H3
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n/an/an/an/a 6.70n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222790
PNG
((4-allyl-2-cyclopentyl-1,2,3,4-tetrahydropyrrolo[3...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(CC=C)c3CN(Cc3c2c1)C1CCCC1
Show InChI InChI=1S/C25H33N3O/c1-3-12-28-23-9-8-19(25(29)26-13-10-18(2)11-14-26)15-21(23)22-16-27(17-24(22)28)20-6-4-5-7-20/h3,8-9,15,18,20H,1,4-7,10-14,16-17H2,2H3
PDB

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n/an/an/an/a 5n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor by GTPgamma[35S] assay


Bioorg Med Chem Lett 17: 6183-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.019
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%