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PubMed code 23085772

Compile data set for download or QSAR
Found 82 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))
BDBM50392561
PNG
(CHEMBL2152813)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392560
PNG
(CHEMBL2152812)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392551
PNG
(CHEMBL2152803)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C25H33FN2O2/c1-5-6-7-12-28-15-19(21(29)18-9-8-17(26)13-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16?,23-,25-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392559
PNG
(CHEMBL2152811)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O2S/c1-5-15-31-18-23(26(33)30-27-28(2,3)19-13-14-29(27,4)17-19)25(32)22-12-11-21(16-24(22)31)34-20-9-7-6-8-10-20/h6-12,16,18-19,27H,5,13-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392550
PNG
(CHEMBL2152802)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H31FN2O2/c1-5-6-11-27-14-18(20(28)17-8-7-16(25)12-19(17)27)21(29)26-22-23(2,3)15-9-10-24(22,4)13-15/h7-8,12,14-15,22H,5-6,9-11,13H2,1-4H3,(H,26,29)/t15?,22-,24-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392564
PNG
(CHEMBL2152816)
Show SMILES COCCn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O3S/c1-28(2)19-12-13-29(3,17-19)27(28)30-26(33)23-18-31(14-15-34-4)24-16-21(10-11-22(24)25(23)32)35-20-8-6-5-7-9-20/h5-11,16,18-19,27H,12-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392563
PNG
(CHEMBL2152815)
Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H37N3O2S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-33(16-15-32(4)5)25-17-22(11-12-23(25)26(24)34)36-21-9-7-6-8-10-21/h6-12,17,19-20,28H,13-16,18H2,1-5H3,(H,31,35)/t20?,28-,30-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272486
PNG
(CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392561
PNG
(CHEMBL2152813)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1
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2.45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392566
PNG
(CHEMBL2152818)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C30H36N2O3S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-32(15-7-8-16-33)25-17-22(11-12-23(25)26(24)34)36-21-9-5-4-6-10-21/h4-6,9-12,17,19-20,28,33H,7-8,13-16,18H2,1-3H3,(H,31,35)/t20?,28-,30-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392549
PNG
(CHEMBL2152801)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H29FN2O2/c1-5-10-26-13-17(19(27)16-7-6-15(24)11-18(16)26)20(28)25-21-22(2,3)14-8-9-23(21,4)12-14/h6-7,11,13-14,21H,5,8-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392551
PNG
(CHEMBL2152803)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C25H33FN2O2/c1-5-6-7-12-28-15-19(21(29)18-9-8-17(26)13-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16?,23-,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392558
PNG
(CHEMBL2152810)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2S/c1-5-30-17-22(25(32)29-26-27(2,3)18-13-14-28(26,4)16-18)24(31)21-12-11-20(15-23(21)30)33-19-9-7-6-8-10-19/h6-12,15,17-18,26H,5,13-14,16H2,1-4H3,(H,29,32)/t18?,26-,28-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392560
PNG
(CHEMBL2152812)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272486
PNG
(CHEMBL498527 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O2S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)36-24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392554
PNG
(CHEMBL2152806)
Show SMILES COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H29FN2O3/c1-22(2)14-7-8-23(3,12-14)21(22)25-20(28)17-13-26(9-10-29-4)18-11-15(24)5-6-16(18)19(17)27/h5-6,11,13-14,21H,7-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392565
PNG
(CHEMBL2152817)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCSc2ccccc2)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C36H40N2O2S2/c1-35(2)25-18-19-36(3,23-25)34(35)37-33(40)30-24-38(20-10-11-21-41-26-12-6-4-7-13-26)31-22-28(16-17-29(31)32(30)39)42-27-14-8-5-9-15-27/h4-9,12-17,22,24-25,34H,10-11,18-21,23H2,1-3H3,(H,37,40)/t25?,34-,36-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392548
PNG
(CHEMBL2152800)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392553
PNG
(CHEMBL2152805)
Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H32FN3O2/c1-23(2)15-8-9-24(3,13-15)22(23)26-21(30)18-14-28(11-10-27(4)5)19-12-16(25)6-7-17(19)20(18)29/h6-7,12,14-15,22H,8-11,13H2,1-5H3,(H,26,30)/t15?,22-,24-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392559
PNG
(CHEMBL2152811)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O2S/c1-5-15-31-18-23(26(33)30-27-28(2,3)19-13-14-29(27,4)17-19)25(32)22-12-11-21(16-24(22)31)34-20-9-7-6-8-10-20/h6-12,16,18-19,27H,5,13-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392576
PNG
(CHEMBL2152827)
Show SMILES CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C28H28N2O3S/c1-2-3-10-17-30-19-25(28(32)29-33-20-21-11-6-4-7-12-21)27(31)24-16-15-23(18-26(24)30)34-22-13-8-5-9-14-22/h4-9,11-16,18-19H,2-3,10,17,20H2,1H3,(H,29,32)
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12.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392575
PNG
(CHEMBL2152826)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C26H31N3O2S/c1-2-3-8-15-28-19-23(26(31)27-29-16-9-5-10-17-29)25(30)22-14-13-21(18-24(22)28)32-20-11-6-4-7-12-20/h4,6-7,11-14,18-19H,2-3,5,8-10,15-17H2,1H3,(H,27,31)
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13.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392550
PNG
(CHEMBL2152802)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H31FN2O2/c1-5-6-11-27-14-18(20(28)17-8-7-16(25)12-19(17)27)21(29)26-22-23(2,3)15-9-10-24(22,4)13-15/h7-8,12,14-15,22H,5-6,9-11,13H2,1-4H3,(H,26,29)/t15?,22-,24-/m1/s1
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14.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392570
PNG
(CHEMBL2152821)
Show SMILES CCCCCn1cc(C(=O)NC(C)C)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C24H28N2O2S/c1-4-5-9-14-26-16-21(24(28)25-17(2)3)23(27)20-13-12-19(15-22(20)26)29-18-10-7-6-8-11-18/h6-8,10-13,15-17H,4-5,9,14H2,1-3H3,(H,25,28)
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14.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392555
PNG
(CHEMBL2152807)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(C=C)c2cc(F)ccc2c1=O |r|
Show InChI InChI=1S/C22H25FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h5-7,10,12-13,20H,1,8-9,11H2,2-4H3,(H,24,27)/t13?,20-,22-/m1/s1
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15.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392556
PNG
(CHEMBL2152808)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O |r|
Show InChI InChI=1S/C24H31FN2O3/c1-23(2)15-8-9-24(3,13-15)22(23)26-21(30)18-14-27(10-4-5-11-28)19-12-16(25)6-7-17(19)20(18)29/h6-7,12,14-15,22,28H,4-5,8-11,13H2,1-3H3,(H,26,30)/t15?,22-,24-/m1/s1
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15.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392557
PNG
(CHEMBL2152809)
Show SMILES Cn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H30N2O2S/c1-26(2)17-12-13-27(3,15-17)25(26)28-24(31)21-16-29(4)22-14-19(10-11-20(22)23(21)30)32-18-8-6-5-7-9-18/h5-11,14,16-17,25H,12-13,15H2,1-4H3,(H,28,31)/t17?,25-,27-/m1/s1
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392576
PNG
(CHEMBL2152827)
Show SMILES CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C28H28N2O3S/c1-2-3-10-17-30-19-25(28(32)29-33-20-21-11-6-4-7-12-21)27(31)24-16-15-23(18-26(24)30)34-22-13-8-5-9-14-22/h4-9,11-16,18-19H,2-3,10,17,20H2,1H3,(H,29,32)
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19.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392572
PNG
(CHEMBL2152823)
Show SMILES CCCCCn1cc(C(=O)NC(CC)CO)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C25H30N2O3S/c1-3-5-9-14-27-16-22(25(30)26-18(4-2)17-28)24(29)21-13-12-20(15-23(21)27)31-19-10-7-6-8-11-19/h6-8,10-13,15-16,18,28H,3-5,9,14,17H2,1-2H3,(H,26,30)
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19.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392570
PNG
(CHEMBL2152821)
Show SMILES CCCCCn1cc(C(=O)NC(C)C)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C24H28N2O2S/c1-4-5-9-14-26-16-21(24(28)25-17(2)3)23(27)20-13-12-19(15-22(20)26)29-18-10-7-6-8-11-18/h6-8,10-13,15-17H,4-5,9,14H2,1-3H3,(H,25,28)
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20.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392564
PNG
(CHEMBL2152816)
Show SMILES COCCn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O3S/c1-28(2)19-12-13-29(3,17-19)27(28)30-26(33)23-18-31(14-15-34-4)24-16-21(10-11-22(24)25(23)32)35-20-8-6-5-7-9-20/h5-11,16,18-19,27H,12-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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23.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392563
PNG
(CHEMBL2152815)
Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H37N3O2S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-33(16-15-32(4)5)25-17-22(11-12-23(25)26(24)34)36-21-9-7-6-8-10-21/h6-12,17,19-20,28H,13-16,18H2,1-5H3,(H,31,35)/t20?,28-,30-/m1/s1
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28.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392575
PNG
(CHEMBL2152826)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C26H31N3O2S/c1-2-3-8-15-28-19-23(26(31)27-29-16-9-5-10-17-29)25(30)22-14-13-21(18-24(22)28)32-20-11-6-4-7-12-20/h4,6-7,11-14,18-19H,2-3,5,8-10,15-17H2,1H3,(H,27,31)
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28.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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30.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392552
PNG
(CHEMBL2152804)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(F)cc23)c1 |r|
Show InChI InChI=1S/C28H31FN2O2/c1-17-6-5-7-18(12-17)15-31-16-22(24(32)21-9-8-20(29)13-23(21)31)25(33)30-26-27(2,3)19-10-11-28(26,4)14-19/h5-9,12-13,16,19,26H,10-11,14-15H2,1-4H3,(H,30,33)/t19?,26-,28-/m1/s1
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31.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392566
PNG
(CHEMBL2152818)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C30H36N2O3S/c1-29(2)20-13-14-30(3,18-20)28(29)31-27(35)24-19-32(15-7-8-16-33)25-17-22(11-12-23(25)26(24)34)36-21-9-5-4-6-10-21/h4-6,9-12,17,19-20,28,33H,7-8,13-16,18H2,1-3H3,(H,31,35)/t20?,28-,30-/m1/s1
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38.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392572
PNG
(CHEMBL2152823)
Show SMILES CCCCCn1cc(C(=O)NC(CC)CO)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C25H30N2O3S/c1-3-5-9-14-27-16-22(25(30)26-18(4-2)17-28)24(29)21-13-12-20(15-23(21)27)31-19-10-7-6-8-11-19/h6-8,10-13,15-16,18,28H,3-5,9,14,17H2,1-2H3,(H,26,30)
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58.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392577
PNG
(CHEMBL2152828)
Show SMILES CCCCCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C27H33N3O3S/c1-2-3-7-13-30-20-24(27(32)28-12-14-29-15-17-33-18-16-29)26(31)23-11-10-22(19-25(23)30)34-21-8-5-4-6-9-21/h4-6,8-11,19-20H,2-3,7,12-18H2,1H3,(H,28,32)
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63.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392571
PNG
(CHEMBL2152822)
Show SMILES CCCCCn1cc(C(=O)NN(C)C)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C23H27N3O2S/c1-4-5-9-14-26-16-20(23(28)24-25(2)3)22(27)19-13-12-18(15-21(19)26)29-17-10-7-6-8-11-17/h6-8,10-13,15-16H,4-5,9,14H2,1-3H3,(H,24,28)
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77.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392571
PNG
(CHEMBL2152822)
Show SMILES CCCCCn1cc(C(=O)NN(C)C)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C23H27N3O2S/c1-4-5-9-14-26-16-20(23(28)24-25(2)3)22(27)19-13-12-18(15-21(19)26)29-17-10-7-6-8-11-17/h6-8,10-13,15-16H,4-5,9,14H2,1-3H3,(H,24,28)
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86.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392574
PNG
(CHEMBL2152825)
Show SMILES CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc12 |(41.89,-47.58,;40.56,-48.35,;39.22,-47.58,;37.89,-48.36,;36.56,-47.59,;36.55,-46.05,;37.9,-45.27,;37.89,-43.72,;39.22,-42.94,;39.22,-41.4,;40.56,-43.71,;41.89,-42.93,;41.7,-41.55,;43.16,-40.91,;44.51,-41.51,;44.79,-42.91,;43.42,-42.28,;43.68,-40.38,;43.23,-39.27,;36.54,-42.94,;36.53,-41.4,;35.2,-43.73,;33.87,-42.96,;32.54,-43.73,;32.54,-45.28,;31.2,-46.05,;29.87,-45.28,;29.88,-43.74,;28.55,-42.97,;27.21,-43.74,;27.22,-45.28,;28.55,-46.05,;33.87,-46.05,;35.21,-45.28,)|
Show InChI InChI=1S/C28H33N3O2S/c1-2-3-7-14-31-18-24(28(33)29-25-19-30-15-12-20(25)13-16-30)27(32)23-11-10-22(17-26(23)31)34-21-8-5-4-6-9-21/h4-6,8-11,17-18,20,25H,2-3,7,12-16,19H2,1H3,(H,29,33)
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89.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392547
PNG
(CHEMBL2152799)
Show SMILES Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C21H25FN2O2/c1-20(2)12-7-8-21(3,10-12)19(20)23-18(26)15-11-24(4)16-9-13(22)5-6-14(16)17(15)25/h5-6,9,11-12,19H,7-8,10H2,1-4H3,(H,23,26)/t12?,19-,21-/m1/s1
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93.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392577
PNG
(CHEMBL2152828)
Show SMILES CCCCCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C27H33N3O3S/c1-2-3-7-13-30-20-24(27(32)28-12-14-29-15-17-33-18-16-29)26(31)23-11-10-22(19-25(23)30)34-21-8-5-4-6-9-21/h4-6,8-11,19-20H,2-3,7,12-18H2,1H3,(H,28,32)
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119n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392569
PNG
(CHEMBL2152820)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Br)cc12
Show InChI InChI=1S/C22H21BrCl2N2O2/c1-2-3-4-9-27-13-17(21(28)16-7-6-15(23)11-20(16)27)22(29)26-12-14-5-8-18(24)19(25)10-14/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,26,29)
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130n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392562
PNG
(CHEMBL2152814)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc23)c1 |r|
Show InChI InChI=1S/C34H36N2O2S/c1-22-9-8-10-23(17-22)20-36-21-28(31(38)35-32-33(2,3)24-15-16-34(32,4)19-24)30(37)27-14-13-26(18-29(27)36)39-25-11-6-5-7-12-25/h5-14,17-18,21,24,32H,15-16,19-20H2,1-4H3,(H,35,38)/t24?,32-,34-/m1/s1
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139n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392574
PNG
(CHEMBL2152825)
Show SMILES CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc12 |(41.89,-47.58,;40.56,-48.35,;39.22,-47.58,;37.89,-48.36,;36.56,-47.59,;36.55,-46.05,;37.9,-45.27,;37.89,-43.72,;39.22,-42.94,;39.22,-41.4,;40.56,-43.71,;41.89,-42.93,;41.7,-41.55,;43.16,-40.91,;44.51,-41.51,;44.79,-42.91,;43.42,-42.28,;43.68,-40.38,;43.23,-39.27,;36.54,-42.94,;36.53,-41.4,;35.2,-43.73,;33.87,-42.96,;32.54,-43.73,;32.54,-45.28,;31.2,-46.05,;29.87,-45.28,;29.88,-43.74,;28.55,-42.97,;27.21,-43.74,;27.22,-45.28,;28.55,-46.05,;33.87,-46.05,;35.21,-45.28,)|
Show InChI InChI=1S/C28H33N3O2S/c1-2-3-7-14-31-18-24(28(33)29-25-19-30-15-12-20(25)13-16-30)27(32)23-11-10-22(17-26(23)31)34-21-8-5-4-6-9-21/h4-6,8-11,17-18,20,25H,2-3,7,12-16,19H2,1H3,(H,29,33)
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151n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392553
PNG
(CHEMBL2152805)
Show SMILES CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H32FN3O2/c1-23(2)15-8-9-24(3,13-15)22(23)26-21(30)18-14-28(11-10-27(4)5)19-12-16(25)6-7-17(19)20(18)29/h6-7,12,14-15,22H,8-11,13H2,1-5H3,(H,26,30)/t15?,22-,24-/m1/s1
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179n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392558
PNG
(CHEMBL2152810)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C28H32N2O2S/c1-5-30-17-22(25(32)29-26-27(2,3)18-13-14-28(26,4)16-18)24(31)21-12-11-20(15-23(21)30)33-19-9-7-6-8-10-19/h6-12,15,17-18,26H,5,13-14,16H2,1-4H3,(H,29,32)/t18?,26-,28-/m1/s1
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181n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392549
PNG
(CHEMBL2152801)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H29FN2O2/c1-5-10-26-13-17(19(27)16-7-6-15(24)11-18(16)26)20(28)25-21-22(2,3)14-8-9-23(21,4)12-14/h6-7,11,13-14,21H,5,8-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1
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193n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392573
PNG
(CHEMBL2152824)
Show SMILES CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C26H29N3O3S/c1-2-3-7-14-28-17-21(26(32)29-15-8-11-22(29)25(27)31)24(30)20-13-12-19(16-23(20)28)33-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17,22H,2-3,7-8,11,14-15H2,1H3,(H2,27,31)/t22-/m0/s1
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392554
PNG
(CHEMBL2152806)
Show SMILES COCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C23H29FN2O3/c1-22(2)14-7-8-23(3,12-14)21(22)25-20(28)17-13-26(9-10-29-4)18-11-15(24)5-6-16(18)19(17)27/h5-6,11,13-14,21H,7-10,12H2,1-4H3,(H,25,28)/t14?,21-,23-/m1/s1
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297n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392578
PNG
(CHEMBL2152829)
Show SMILES CCCCCn1cc(C(=O)NOC)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C22H24N2O3S/c1-3-4-8-13-24-15-19(22(26)23-27-2)21(25)18-12-11-17(14-20(18)24)28-16-9-6-5-7-10-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,23,26)
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340n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392568
PNG
(CHEMBL2152819)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C28H26Cl2N2O2/c1-2-3-7-14-32-18-23(28(34)31-17-19-10-13-24(29)25(30)15-19)27(33)22-12-11-21(16-26(22)32)20-8-5-4-6-9-20/h4-6,8-13,15-16,18H,2-3,7,14,17H2,1H3,(H,31,34)
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390n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392556
PNG
(CHEMBL2152808)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O |r|
Show InChI InChI=1S/C24H31FN2O3/c1-23(2)15-8-9-24(3,13-15)22(23)26-21(30)18-14-27(10-4-5-11-28)19-12-16(25)6-7-17(19)20(18)29/h6-7,12,14-15,22,28H,4-5,8-11,13H2,1-3H3,(H,26,30)/t15?,22-,24-/m1/s1
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399n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392579
PNG
(CHEMBL2152830)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C28H26Cl2N2O2S/c1-2-3-7-14-32-18-23(28(34)31-17-19-10-13-24(29)25(30)15-19)27(33)22-12-11-21(16-26(22)32)35-20-8-5-4-6-9-20/h4-6,8-13,15-16,18H,2-3,7,14,17H2,1H3,(H,31,34)
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420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392578
PNG
(CHEMBL2152829)
Show SMILES CCCCCn1cc(C(=O)NOC)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C22H24N2O3S/c1-3-4-8-13-24-15-19(22(26)23-27-2)21(25)18-12-11-17(14-20(18)24)28-16-9-6-5-7-10-16/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,23,26)
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490n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392569
PNG
(CHEMBL2152820)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Br)cc12
Show InChI InChI=1S/C22H21BrCl2N2O2/c1-2-3-4-9-27-13-17(21(28)16-7-6-15(23)11-20(16)27)22(29)26-12-14-5-8-18(24)19(25)10-14/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,26,29)
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660n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392562
PNG
(CHEMBL2152814)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(Sc4ccccc4)cc23)c1 |r|
Show InChI InChI=1S/C34H36N2O2S/c1-22-9-8-10-23(17-22)20-36-21-28(31(38)35-32-33(2,3)24-15-16-34(32,4)19-24)30(37)27-14-13-26(18-29(27)36)39-25-11-6-5-7-12-25/h5-14,17-18,21,24,32H,15-16,19-20H2,1-4H3,(H,35,38)/t24?,32-,34-/m1/s1
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669n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392567
PNG
(CHEMBL2151057)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cnc2cc(F)ccc2c1O |r|
Show InChI InChI=1S/C20H23FN2O2/c1-19(2)11-6-7-20(3,9-11)18(19)23-17(25)14-10-22-15-8-12(21)4-5-13(15)16(14)24/h4-5,8,10-11,18H,6-7,9H2,1-3H3,(H,22,24)(H,23,25)/t11?,18-,20-/m1/s1
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957n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392548
PNG
(CHEMBL2152800)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1
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960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392573
PNG
(CHEMBL2152824)
Show SMILES CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C26H29N3O3S/c1-2-3-7-14-28-17-21(26(32)29-15-8-11-22(29)25(27)31)24(30)20-13-12-19(16-23(20)28)33-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17,22H,2-3,7-8,11,14-15H2,1H3,(H2,27,31)/t22-/m0/s1
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1.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392557
PNG
(CHEMBL2152809)
Show SMILES Cn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H30N2O2S/c1-26(2)17-12-13-27(3,15-17)25(26)28-24(31)21-16-29(4)22-14-19(10-11-20(22)23(21)30)32-18-8-6-5-7-9-18/h5-11,14,16-17,25H,12-13,15H2,1-4H3,(H,28,31)/t17?,25-,27-/m1/s1
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1.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392555
PNG
(CHEMBL2152807)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(C=C)c2cc(F)ccc2c1=O |r|
Show InChI InChI=1S/C22H25FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h5-7,10,12-13,20H,1,8-9,11H2,2-4H3,(H,24,27)/t13?,20-,22-/m1/s1
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3.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392547
PNG
(CHEMBL2152799)
Show SMILES Cn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C21H25FN2O2/c1-20(2)12-7-8-21(3,10-12)19(20)23-18(26)15-11-24(4)16-9-13(22)5-6-14(16)17(15)25/h5-6,9,11-12,19H,7-8,10H2,1-4H3,(H,23,26)/t12?,19-,21-/m1/s1
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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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392552
PNG
(CHEMBL2152804)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@@H]3C(C)(C)C4CC[C@]3(C)C4)c(=O)c3ccc(F)cc23)c1 |r|
Show InChI InChI=1S/C28H31FN2O2/c1-17-6-5-7-18(12-17)15-31-16-22(24(32)21-9-8-20(29)13-23(21)31)25(33)30-26-27(2,3)19-10-11-28(26,4)14-19/h5-9,12-13,16,19,26H,10-11,14-15H2,1-4H3,(H,30,33)/t19?,26-,28-/m1/s1
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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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392580
PNG
(CHEMBL2152831)
Show SMILES Fc1ccc2c(c1)n(cc(C(=O)NN1CCCCC1)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28)
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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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392581
PNG
(CHEMBL2152832)
Show SMILES Fc1ccc(cc1)-n1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C27H24FN3O2S/c28-19-9-11-20(12-10-19)31-18-24(27(33)29-30-15-5-2-6-16-30)26(32)23-14-13-22(17-25(23)31)34-21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,29,33)
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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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392567
PNG
(CHEMBL2151057)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cnc2cc(F)ccc2c1O |r|
Show InChI InChI=1S/C20H23FN2O2/c1-19(2)11-6-7-20(3,9-11)18(19)23-17(25)14-10-22-15-8-12(21)4-5-13(15)16(14)24/h4-5,8,10-11,18H,6-7,9H2,1-3H3,(H,22,24)(H,23,25)/t11?,18-,20-/m1/s1
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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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392579
PNG
(CHEMBL2152830)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C28H26Cl2N2O2S/c1-2-3-7-14-32-18-23(28(34)31-17-19-10-13-24(29)25(30)15-19)27(33)22-12-11-21(16-26(22)32)35-20-8-5-4-6-9-20/h4-6,8-13,15-16,18H,2-3,7,14,17H2,1H3,(H,31,34)
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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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392580
PNG
(CHEMBL2152831)
Show SMILES Fc1ccc2c(c1)n(cc(C(=O)NN1CCCCC1)c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClFN3O2/c22-14-4-7-16(8-5-14)26-13-18(21(28)24-25-10-2-1-3-11-25)20(27)17-9-6-15(23)12-19(17)26/h4-9,12-13H,1-3,10-11H2,(H,24,28)
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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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392565
PNG
(CHEMBL2152817)
Show SMILES CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCSc2ccccc2)c2cc(Sc3ccccc3)ccc2c1=O |r|
Show InChI InChI=1S/C36H40N2O2S2/c1-35(2)25-18-19-36(3,23-25)34(35)37-33(40)30-24-38(20-10-11-21-41-26-12-6-4-7-13-26)31-22-28(16-17-29(31)32(30)39)42-27-14-8-5-9-15-27/h4-9,12-17,22,24-25,34H,10-11,18-21,23H2,1-3H3,(H,37,40)/t25?,34-,36-/m1/s1
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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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392581
PNG
(CHEMBL2152832)
Show SMILES Fc1ccc(cc1)-n1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C27H24FN3O2S/c28-19-9-11-20(12-10-19)31-18-24(27(33)29-30-15-5-2-6-16-30)26(32)23-14-13-22(17-25(23)31)34-21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,29,33)
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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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392568
PNG
(CHEMBL2152819)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C28H26Cl2N2O2/c1-2-3-7-14-32-18-23(28(34)31-17-19-10-13-24(29)25(30)15-19)27(33)22-12-11-21(16-26(22)32)20-8-5-4-6-9-20/h4-6,8-13,15-16,18H,2-3,7,14,17H2,1H3,(H,31,34)
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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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 7.40n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392548
PNG
(CHEMBL2152800)
Show SMILES CCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C22H27FN2O2/c1-5-25-12-16(18(26)15-7-6-14(23)10-17(15)25)19(27)24-20-21(2,3)13-8-9-22(20,4)11-13/h6-7,10,12-13,20H,5,8-9,11H2,1-4H3,(H,24,27)/t13?,20-,22-/m1/s1
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n/an/an/an/a 17.2n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392579
PNG
(CHEMBL2152830)
Show SMILES CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C28H26Cl2N2O2S/c1-2-3-7-14-32-18-23(28(34)31-17-19-10-13-24(29)25(30)15-19)27(33)22-12-11-21(16-26(22)32)35-20-8-5-4-6-9-20/h4-6,8-13,15-16,18H,2-3,7,14,17H2,1H3,(H,31,34)
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n/an/an/an/a 791n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%