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PubMed code 22548457

Compile data set for download or QSAR
Found 60 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))
BDBM50420890
PNG
(CHEMBL2087099)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(23-14-22(7-8-25(23)31)26-6-5-10-34-26)27(32)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420894
PNG
(CHEMBL2087104)
Show SMILES C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C28H30N2O/c1-2-10-30-18-25(24-14-23(8-9-26(24)30)22-6-4-3-5-7-22)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h2-9,14,18-21H,1,10-13,15-17H2,(H,29,31)
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1.82n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420900
PNG
(CHEMBL2087110)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(cc12)-c1ccccc1 |THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H36N2O/c1-2-3-7-12-32-20-27(26-11-10-25(16-28(26)32)24-8-5-4-6-9-24)29(33)31-30-17-21-13-22(18-30)15-23(14-21)19-30/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,31,33)
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2.03n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420898
PNG
(CHEMBL2087108)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C28H34N2O2/c1-2-3-4-9-30-18-24(23-14-22(7-8-25(23)30)26-6-5-10-32-26)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,29,31)
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2.48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420900
PNG
(CHEMBL2087110)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(cc12)-c1ccccc1 |THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H36N2O/c1-2-3-7-12-32-20-27(26-11-10-25(16-28(26)32)24-8-5-4-6-9-24)29(33)31-30-17-21-13-22(18-30)15-23(14-21)19-30/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,31,33)
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3.52n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420896
PNG
(CHEMBL2087106)
Show SMILES C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C26H28N2O2/c1-2-7-28-16-22(21-12-20(5-6-23(21)28)24-4-3-8-30-24)25(29)27-26-13-17-9-18(14-26)11-19(10-17)15-26/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,27,29)
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5.73n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420899
PNG
(CHEMBL2087109)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1cccs1 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C28H34N2OS/c1-2-3-4-9-30-18-24(23-14-22(7-8-25(23)30)26-6-5-10-32-26)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,29,31)
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6.37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420891
PNG
(CHEMBL2087101)
Show SMILES C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H28N2O3/c1-2-7-29-16-22(21-12-20(5-6-23(21)29)24-4-3-8-32-24)25(30)26(31)28-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,28,31)
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10.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420893
PNG
(CHEMBL2087103)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC2CCCCC2)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C27H32N2O2/c1-2-3-10-17-29-19-24(26(30)27(31)28-22-13-8-5-9-14-22)23-18-21(15-16-25(23)29)20-11-6-4-7-12-20/h4,6-7,11-12,15-16,18-19,22H,2-3,5,8-10,13-14,17H2,1H3,(H,28,31)
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11.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420897
PNG
(CHEMBL2087107)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H36N2O/c1-2-3-7-12-32-20-27(26-16-25(10-11-28(26)32)24-8-5-4-6-9-24)29(33)31-30-17-21-13-22(18-30)15-23(14-21)19-30/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,31,33)
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11.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420878
PNG
(CHEMBL2087093)
Show SMILES CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C29H34N2O/c1-2-10-31-19-25(26-14-24(8-9-27(26)31)23-6-4-3-5-7-23)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h3-9,14,19-22H,2,10-13,15-18H2,1H3,(H,30,32)
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11.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420876
PNG
(CHEMBL2087100)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C31H36N2O2/c1-2-3-7-12-33-20-27(26-16-25(10-11-28(26)33)24-8-5-4-6-9-24)29(34)30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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12.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420887
PNG
(CHEMBL2087096)
Show SMILES C=CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H34N2O/c1-2-3-11-32-20-26(27-15-25(9-10-28(27)32)24-7-5-4-6-8-24)16-29(33)31-30-17-21-12-22(18-30)14-23(13-21)19-30/h2,4-10,15,20-23H,1,3,11-14,16-19H2,(H,31,33)
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17.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420886
PNG
(CHEMBL2087095)
Show SMILES CCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H36N2O/c1-2-3-11-32-20-26(27-15-25(9-10-28(27)32)24-7-5-4-6-8-24)16-29(33)31-30-17-21-12-22(18-30)14-23(13-21)19-30/h4-10,15,20-23H,2-3,11-14,16-19H2,1H3,(H,31,33)
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20.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420895
PNG
(CHEMBL2087105)
Show SMILES Oc1ccc(cc1)-c1ccc2n(CC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C28H30N2O2/c1-2-9-30-17-25(24-13-22(5-8-26(24)30)21-3-6-23(31)7-4-21)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2-8,13,17-20,31H,1,9-12,14-16H2,(H,29,32)
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22.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420892
PNG
(CHEMBL2087102)
Show SMILES C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C29H30N2O2/c1-2-10-31-18-25(24-14-23(8-9-26(24)31)22-6-4-3-5-7-22)27(32)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h2-9,14,18-21H,1,10-13,15-17H2,(H,30,33)
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25.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420894
PNG
(CHEMBL2087104)
Show SMILES C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C28H30N2O/c1-2-10-30-18-25(24-14-23(8-9-26(24)30)22-6-4-3-5-7-22)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h2-9,14,18-21H,1,10-13,15-17H2,(H,29,31)
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48.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420885
PNG
(CHEMBL2087094)
Show SMILES C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C29H32N2O/c1-2-10-31-19-25(26-14-24(8-9-27(26)31)23-6-4-3-5-7-23)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h2-9,14,19-22H,1,10-13,15-18H2,(H,30,32)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420881
PNG
(CHEMBL2087089)
Show SMILES C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C27H30N2O2/c1-2-7-29-17-22(23-12-21(5-6-24(23)29)25-4-3-8-31-25)13-26(30)28-27-14-18-9-19(15-27)11-20(10-18)16-27/h2-6,8,12,17-20H,1,7,9-11,13-16H2,(H,28,30)
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420884
PNG
(CHEMBL2087092)
Show SMILES CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C28H32N2O/c1-2-30-18-24(25-13-23(8-9-26(25)30)22-6-4-3-5-7-22)14-27(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h3-9,13,18-21H,2,10-12,14-17H2,1H3,(H,29,31)
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67n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420888
PNG
(CHEMBL2087097)
Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C31H38N2O/c1-2-3-7-12-33-21-27(28-16-26(10-11-29(28)33)25-8-5-4-6-9-25)17-30(34)32-31-18-22-13-23(19-31)15-24(14-22)20-31/h4-6,8-11,16,21-24H,2-3,7,12-15,17-20H2,1H3,(H,32,34)
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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420902
PNG
(CHEMBL2087113)
Show SMILES O=C(Cc1c[nH]c2ccc(cc12)-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C26H28N2O/c29-25(28-26-13-17-8-18(14-26)10-19(9-17)15-26)12-22-16-27-24-7-6-21(11-23(22)24)20-4-2-1-3-5-20/h1-7,11,16-19,27H,8-10,12-15H2,(H,28,29)
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70.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420883
PNG
(CHEMBL2087091)
Show SMILES Cn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C27H30N2O/c1-29-17-23(24-12-22(7-8-25(24)29)21-5-3-2-4-6-21)13-26(30)28-27-14-18-9-19(15-27)11-20(10-18)16-27/h2-8,12,17-20H,9-11,13-16H2,1H3,(H,28,30)
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420882
PNG
(CHEMBL2087090)
Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C29H36N2O2/c1-2-3-4-9-31-19-24(25-14-23(7-8-26(25)31)27-6-5-10-33-27)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h5-8,10,14,19-22H,2-4,9,11-13,15-18H2,1H3,(H,30,32)
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110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420877
PNG
(CHEMBL2087112)
Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc12 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C25H33BrN2O/c1-2-3-4-7-28-16-20(22-12-21(26)5-6-23(22)28)11-24(29)27-25-13-17-8-18(14-25)10-19(9-17)15-25/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,27,29)
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420889
PNG
(CHEMBL2087098)
Show SMILES O=C(Cc1cn(Cc2ccccc2)c2ccc(cc12)-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C33H34N2O/c36-32(34-33-18-24-13-25(19-33)15-26(14-24)20-33)17-29-22-35(21-23-7-3-1-4-8-23)31-12-11-28(16-30(29)31)27-9-5-2-6-10-27/h1-12,16,22,24-26H,13-15,17-21H2,(H,34,36)
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189n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420898
PNG
(CHEMBL2087108)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C28H34N2O2/c1-2-3-4-9-30-18-24(23-14-22(7-8-25(23)30)26-6-5-10-32-26)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,29,31)
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342n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420890
PNG
(CHEMBL2087099)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(23-14-22(7-8-25(23)31)26-6-5-10-34-26)27(32)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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345n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420880
PNG
(CHEMBL2087088)
Show SMILES C=CCn1cc(CC(=O)NC2CCCCCC2)c2cc(ccc12)-c1ccco1
Show InChI InChI=1S/C24H28N2O2/c1-2-13-26-17-19(16-24(27)25-20-8-5-3-4-6-9-20)21-15-18(11-12-22(21)26)23-10-7-14-28-23/h2,7,10-12,14-15,17,20H,1,3-6,8-9,13,16H2,(H,25,27)
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377n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420879
PNG
(CHEMBL2087087)
Show SMILES COc1cccc(COc2ccc3n(CC=C)cc(CC(=O)NC4CCCCC4)c3c2)c1
Show InChI InChI=1S/C27H32N2O3/c1-3-14-29-18-21(16-27(30)28-22-9-5-4-6-10-22)25-17-24(12-13-26(25)29)32-19-20-8-7-11-23(15-20)31-2/h3,7-8,11-13,15,17-18,22H,1,4-6,9-10,14,16,19H2,2H3,(H,28,30)
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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420883
PNG
(CHEMBL2087091)
Show SMILES Cn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C27H30N2O/c1-29-17-23(24-12-22(7-8-25(24)29)21-5-3-2-4-6-21)13-26(30)28-27-14-18-9-19(15-27)11-20(10-18)16-27/h2-8,12,17-20H,9-11,13-16H2,1H3,(H,28,30)
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488n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420885
PNG
(CHEMBL2087094)
Show SMILES C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C29H32N2O/c1-2-10-31-19-25(26-14-24(8-9-27(26)31)23-6-4-3-5-7-23)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h2-9,14,19-22H,1,10-13,15-18H2,(H,30,32)
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530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420881
PNG
(CHEMBL2087089)
Show SMILES C=CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C27H30N2O2/c1-2-7-29-17-22(23-12-21(5-6-24(23)29)25-4-3-8-31-25)13-26(30)28-27-14-18-9-19(15-27)11-20(10-18)16-27/h2-6,8,12,17-20H,1,7,9-11,13-16H2,(H,28,30)
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560n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420884
PNG
(CHEMBL2087092)
Show SMILES CCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C28H32N2O/c1-2-30-18-24(25-13-23(8-9-26(25)30)22-6-4-3-5-7-22)14-27(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h3-9,13,18-21H,2,10-12,14-17H2,1H3,(H,29,31)
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698n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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790n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420897
PNG
(CHEMBL2087107)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H36N2O/c1-2-3-7-12-32-20-27(26-16-25(10-11-28(26)32)24-8-5-4-6-9-24)29(33)31-30-17-21-13-22(18-30)15-23(14-21)19-30/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,31,33)
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1.05E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420901
PNG
(CHEMBL2087111)
Show SMILES Brc1ccc2n(CC=C)cc(CC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
Show InChI InChI=1S/C23H27BrN2O/c1-2-5-26-14-18(20-10-19(24)3-4-21(20)26)9-22(27)25-23-11-15-6-16(12-23)8-17(7-15)13-23/h2-4,10,14-17H,1,5-9,11-13H2,(H,25,27)
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1.09E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420878
PNG
(CHEMBL2087093)
Show SMILES CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C29H34N2O/c1-2-10-31-19-25(26-14-24(8-9-27(26)31)23-6-4-3-5-7-23)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h3-9,14,19-22H,2,10-13,15-18H2,1H3,(H,30,32)
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1.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420882
PNG
(CHEMBL2087090)
Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C29H36N2O2/c1-2-3-4-9-31-19-24(25-14-23(7-8-26(25)31)27-6-5-10-33-27)15-28(32)30-29-16-20-11-21(17-29)13-22(12-20)18-29/h5-8,10,14,19-22H,2-4,9,11-13,15-18H2,1H3,(H,30,32)
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1.66E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420887
PNG
(CHEMBL2087096)
Show SMILES C=CCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H34N2O/c1-2-3-11-32-20-26(27-15-25(9-10-28(27)32)24-7-5-4-6-8-24)16-29(33)31-30-17-21-12-22(18-30)14-23(13-21)19-30/h2,4-10,15,20-23H,1,3,11-14,16-19H2,(H,31,33)
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1.83E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420888
PNG
(CHEMBL2087097)
Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C31H38N2O/c1-2-3-7-12-33-21-27(28-16-26(10-11-29(28)33)25-8-5-4-6-9-25)17-30(34)32-31-18-22-13-23(19-31)15-24(14-22)20-31/h4-6,8-11,16,21-24H,2-3,7,12-15,17-20H2,1H3,(H,32,34)
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2.38E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420896
PNG
(CHEMBL2087106)
Show SMILES C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C26H28N2O2/c1-2-7-28-16-22(21-12-20(5-6-23(21)28)24-4-3-8-30-24)25(29)27-26-13-17-9-18(14-26)11-19(10-17)15-26/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,27,29)
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2.79E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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>2.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420891
PNG
(CHEMBL2087101)
Show SMILES C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C27H28N2O3/c1-2-7-29-16-22(21-12-20(5-6-23(21)29)24-4-3-8-32-24)25(30)26(31)28-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,28,31)
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3.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420899
PNG
(CHEMBL2087109)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1cccs1 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C28H34N2OS/c1-2-3-4-9-30-18-24(23-14-22(7-8-25(23)30)26-6-5-10-32-26)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,29,31)
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3.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420892
PNG
(CHEMBL2087102)
Show SMILES C=CCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C29H30N2O2/c1-2-10-31-18-25(24-14-23(8-9-26(24)31)22-6-4-3-5-7-22)27(32)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h2-9,14,18-21H,1,10-13,15-17H2,(H,30,33)
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3.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420877
PNG
(CHEMBL2087112)
Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc12 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C25H33BrN2O/c1-2-3-4-7-28-16-20(22-12-21(26)5-6-23(22)28)11-24(29)27-25-13-17-8-18(14-25)10-19(9-17)15-25/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,27,29)
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5.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420893
PNG
(CHEMBL2087103)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC2CCCCC2)c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C27H32N2O2/c1-2-3-10-17-29-19-24(26(30)27(31)28-22-13-8-5-9-14-22)23-18-21(15-16-25(23)29)20-11-6-4-7-12-20/h4,6-7,11-12,15-16,18-19,22H,2-3,5,8-10,13-14,17H2,1H3,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420901
PNG
(CHEMBL2087111)
Show SMILES Brc1ccc2n(CC=C)cc(CC(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:14:15:18:22.21.20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15|
Show InChI InChI=1S/C23H27BrN2O/c1-2-5-26-14-18(20-10-19(24)3-4-21(20)26)9-22(27)25-23-11-15-6-16(12-23)8-17(7-15)13-23/h2-4,10,14-17H,1,5-9,11-13H2,(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420895
PNG
(CHEMBL2087105)
Show SMILES Oc1ccc(cc1)-c1ccc2n(CC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C28H30N2O2/c1-2-9-30-17-25(24-13-22(5-8-26(24)30)21-3-6-23(31)7-4-21)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2-8,13,17-20,31H,1,9-12,14-16H2,(H,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420880
PNG
(CHEMBL2087088)
Show SMILES C=CCn1cc(CC(=O)NC2CCCCCC2)c2cc(ccc12)-c1ccco1
Show InChI InChI=1S/C24H28N2O2/c1-2-13-26-17-19(16-24(27)25-20-8-5-3-4-6-9-20)21-15-18(11-12-22(21)26)23-10-7-14-28-23/h2,7,10-12,14-15,17,20H,1,3-6,8-9,13,16H2,(H,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420889
PNG
(CHEMBL2087098)
Show SMILES O=C(Cc1cn(Cc2ccccc2)c2ccc(cc12)-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C33H34N2O/c36-32(34-33-18-24-13-25(19-33)15-26(14-24)20-33)17-29-22-35(21-23-7-3-1-4-8-23)31-12-11-28(16-30(29)31)27-9-5-2-6-10-27/h1-12,16,22,24-26H,13-15,17-21H2,(H,34,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420876
PNG
(CHEMBL2087100)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C31H36N2O2/c1-2-3-7-12-33-20-27(26-16-25(10-11-28(26)33)24-8-5-4-6-9-24)29(34)30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420902
PNG
(CHEMBL2087113)
Show SMILES O=C(Cc1c[nH]c2ccc(cc12)-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C26H28N2O/c29-25(28-26-13-17-8-18(14-26)10-19(9-17)15-26)12-22-16-27-24-7-6-21(11-23(22)24)20-4-2-1-3-5-20/h1-7,11,16-19,27H,8-10,12-15H2,(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420879
PNG
(CHEMBL2087087)
Show SMILES COc1cccc(COc2ccc3n(CC=C)cc(CC(=O)NC4CCCCC4)c3c2)c1
Show InChI InChI=1S/C27H32N2O3/c1-3-14-29-18-21(16-27(30)28-22-9-5-4-6-10-22)25-17-24(12-13-26(25)29)32-19-20-8-7-11-23(15-20)31-2/h3,7-8,11-13,15,17-18,22H,1,4-6,9-10,14,16,19H2,2H3,(H,28,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50420886
PNG
(CHEMBL2087095)
Show SMILES CCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C30H36N2O/c1-2-3-11-32-20-26(27-15-25(9-10-28(27)32)24-7-5-4-6-8-24)16-29(33)31-30-17-21-12-22(18-30)14-23(13-21)19-30/h4-10,15,20-23H,2-3,11-14,16-19H2,1H3,(H,31,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%