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Compile Data Set for Download or QSAR

Found 597 hits with Last Name = 'allarà' and Initial = 'm'   
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))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356552
PNG
(CHEMBL1909860)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-15-8-4-3-5-9-15)26-28(22(17)27-12-6-7-13-27)16-10-11-18(23)19(24)14-16/h6-7,10-15H,2-5,8-9H2,1H3,(H,25,29)
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0.510n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356548
PNG
(CHEMBL1909856)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(9.73,-1.52,;10.63,-2.77,;12.17,-2.77,;12.64,-4.23,;11.4,-5.13,;10.15,-4.23,;8.68,-4.68,;8.18,-6.13,;6.64,-6.11,;6.19,-4.64,;7.45,-3.75,;7.47,-2.21,;11.39,-6.67,;10.05,-7.44,;10.05,-8.97,;11.38,-9.75,;11.38,-11.29,;12.72,-8.97,;14.06,-9.74,;12.72,-7.43,;13.07,-1.52,;12.45,-.12,;14.61,-1.69,;15.51,-.44,;17.05,-.61,;17.96,.62,;17.34,2.03,;15.81,2.2,;14.89,.96,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-14-6-3-2-4-7-14)26-28(15-9-10-16(22)17(23)12-15)21(13)27-11-5-8-18(27)24/h5,8-12,14H,2-4,6-7H2,1H3,(H,25,29)
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0.900n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356550
PNG
(CHEMBL1909858)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(33.16,-36.05,;34.06,-37.29,;35.6,-37.3,;36.07,-38.76,;34.82,-39.66,;33.58,-38.75,;32.11,-39.21,;30.88,-38.28,;30.9,-36.74,;29.62,-39.16,;30.07,-40.64,;31.61,-40.66,;32.5,-41.92,;34.82,-41.2,;33.48,-41.96,;33.48,-43.5,;34.81,-44.27,;34.81,-45.81,;36.15,-43.5,;37.49,-44.27,;36.15,-41.96,;36.5,-36.05,;35.88,-34.64,;38.03,-36.21,;38.94,-34.97,;40.47,-35.14,;41.38,-33.9,;40.76,-32.49,;39.22,-32.32,;38.31,-33.57,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-13-5-3-2-4-6-13)27-29(14-7-8-15(22)16(23)11-14)21(12)28-17(24)9-10-18(28)25/h7-11,13H,2-6H2,1H3,(H,26,30)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298944
PNG
(CHEMBL576549 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-16-8-4-2-3-5-9-16)26-28(22(15)27-12-6-7-13-27)17-10-11-18(23)19(24)14-17/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298942
PNG
((R)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356554
PNG
(CHEMBL1909957)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(34.91,5.92,;34.28,4.51,;35.19,3.27,;36.72,3.27,;37.2,1.8,;35.95,.9,;34.71,1.81,;33.24,1.35,;32,2.28,;32.03,3.82,;30.75,1.4,;31.2,-.08,;32.74,-.1,;33.22,-1.53,;35.95,-.63,;34.61,-1.4,;34.61,-2.94,;35.94,-3.71,;35.94,-5.25,;37.28,-2.94,;38.62,-3.7,;37.28,-1.4,;37.63,4.51,;37.01,5.92,;39.16,4.35,;40.07,5.59,;41.6,5.42,;42.5,6.66,;41.89,8.08,;40.35,8.25,;39.43,6.99,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-17-8-6-5-7-9-17)28-30(18-12-13-20(25)21(26)14-18)24(19)29-15(2)10-11-16(29)3/h10-14,17H,4-9H2,1-3H3,(H,27,31)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Universita` del Piemonte Orientale

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cells membrane incubated for 90 mins


J Nat Prod 74: 2019-22 (2011)


Article DOI: 10.1021/np200500p
BindingDB Entry DOI: 10.7270/Q2BR8SKG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356540
PNG
(CHEMBL1909848)
Show SMILES Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H28Cl2N4O/c1-16-23(24(32)28-20-9-3-2-4-10-20)29-31(22-12-11-19(26)13-21(22)27)25(16)30-14-17-7-5-6-8-18(17)15-30/h11-15,20H,2-10H2,1H3,(H,28,32)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298941
PNG
((S)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356542
PNG
(CHEMBL1909850)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-16-8-4-3-5-9-16)26-28(22(17)27-12-6-7-13-27)19-11-10-15(23)14-18(19)24/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298941
PNG
((S)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298936
PNG
(CHEMBL579249 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |(31.5,-24.15,;32.38,-22.88,;33.91,-22.86,;34.37,-21.39,;33.1,-20.5,;33.07,-18.96,;31.88,-21.43,;30.4,-20.98,;29.9,-19.53,;30.78,-18.26,;28.36,-19.56,;27.91,-21.02,;29.17,-21.91,;29.2,-23.45,;27.88,-24.24,;27.91,-25.78,;29.26,-26.52,;29.29,-28.06,;30.58,-25.73,;31.92,-26.48,;30.55,-24.2,;27.44,-18.33,;28.03,-16.91,;25.91,-18.52,;24.96,-17.28,;23.48,-17.59,;22.3,-16.6,;22.34,-15.06,;23.56,-14.14,;25.05,-14.51,;25.71,-15.94,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-18-8-6-4-5-7-9-18)28-30(24)19-12-13-20(25)21(26)14-19/h10-14,18H,4-9H2,1-3H3,(H,27,31)
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4.20n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072769
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (2...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCl
Show InChI InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
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



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
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



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
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£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298935
PNG
(CHEMBL575382 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:23:24:27.26.31:29,25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,(1.92,-40.22,;2.36,-38.57,;3.89,-38.49,;4.29,-36.99,;3,-36.16,;2.91,-34.62,;1.8,-37.13,;.31,-36.74,;-.25,-35.29,;.6,-34,;-1.79,-35.38,;-2.19,-36.87,;-.89,-37.71,;-.8,-39.25,;-2.1,-40.09,;-2.01,-41.63,;-.64,-42.33,;-.55,-43.87,;.65,-41.48,;2.03,-42.18,;.57,-39.95,;-2.76,-34.18,;-2.21,-32.74,;-4.28,-34.43,;-5.25,-33.23,;-6.2,-34.42,;-7.52,-33.9,;-8.92,-34.29,;-7.8,-33.1,;-7.81,-31.71,;-6.55,-31.26,;-7.52,-32.42,;-5.24,-31.8,;-6.56,-33.55,)|
Show InChI InChI=1S/C27H30Cl2N4O/c1-15-4-5-16(2)32(15)26-17(3)24(31-33(26)21-6-7-22(28)23(29)11-21)25(34)30-27-12-18-8-19(13-27)10-20(9-18)14-27/h4-7,11,18-20H,8-10,12-14H2,1-3H3,(H,30,34)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298944
PNG
(CHEMBL576549 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-15-20(21(29)25-16-8-4-2-3-5-9-16)26-28(22(15)27-12-6-7-13-27)17-10-11-18(23)19(24)14-17/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356550
PNG
(CHEMBL1909858)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(33.16,-36.05,;34.06,-37.29,;35.6,-37.3,;36.07,-38.76,;34.82,-39.66,;33.58,-38.75,;32.11,-39.21,;30.88,-38.28,;30.9,-36.74,;29.62,-39.16,;30.07,-40.64,;31.61,-40.66,;32.5,-41.92,;34.82,-41.2,;33.48,-41.96,;33.48,-43.5,;34.81,-44.27,;34.81,-45.81,;36.15,-43.5,;37.49,-44.27,;36.15,-41.96,;36.5,-36.05,;35.88,-34.64,;38.03,-36.21,;38.94,-34.97,;40.47,-35.14,;41.38,-33.9,;40.76,-32.49,;39.22,-32.32,;38.31,-33.57,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-13-5-3-2-4-6-13)27-29(14-7-8-15(22)16(23)11-14)21(12)28-17(24)9-10-18(28)25/h7-11,13H,2-6H2,1H3,(H,26,30)
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5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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5.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298934
PNG
(CHEMBL574270 | N-[1-(1-Phenyl)ethyl]1-(3,4-dichlor...)
Show SMILES CC(NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)c1ccccc1 |(8.9,-29.05,;8.35,-30.49,;9.32,-31.69,;10.84,-31.44,;11.39,-30,;11.81,-32.64,;11.41,-34.12,;12.71,-34.96,;13.91,-33.99,;13.35,-32.55,;14.19,-31.26,;15.39,-34.39,;15.95,-35.82,;15.11,-37.12,;17.49,-35.75,;17.89,-34.25,;16.59,-33.42,;16.51,-31.88,;12.8,-36.5,;11.5,-37.34,;11.59,-38.88,;12.96,-39.58,;13.05,-41.12,;14.25,-38.74,;15.63,-39.43,;14.17,-37.2,;6.83,-30.74,;5.86,-29.54,;4.34,-29.78,;3.79,-31.22,;4.77,-32.42,;6.28,-32.17,)|
Show InChI InChI=1S/C25H24Cl2N4O/c1-15-10-11-16(2)30(15)25-17(3)23(24(32)28-18(4)19-8-6-5-7-9-19)29-31(25)20-12-13-21(26)22(27)14-20/h5-14,18H,1-4H3,(H,28,32)
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5.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225152
PNG
(1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-...)
Show SMILES O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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6.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356544
PNG
(CHEMBL1909852)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.94,-21.87,;7.31,-23.28,;8.21,-24.52,;9.75,-24.52,;10.22,-25.99,;8.98,-26.89,;7.74,-25.98,;6.27,-26.44,;5.03,-25.51,;5.06,-23.97,;3.77,-26.39,;4.23,-27.87,;5.77,-27.89,;6.24,-29.32,;8.98,-28.42,;7.64,-29.19,;7.63,-30.73,;8.97,-31.5,;8.97,-33.04,;10.31,-30.73,;10.3,-29.19,;11.64,-28.42,;10.66,-23.28,;10.03,-21.87,;12.19,-23.44,;13.1,-22.2,;14.63,-22.37,;15.53,-21.13,;14.92,-19.72,;13.38,-19.56,;12.47,-20.8,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-18-8-6-5-7-9-18)28-30(21-13-12-17(25)14-20(21)26)24(19)29-15(2)10-11-16(29)3/h10-14,18H,4-9H2,1-3H3,(H,27,31)
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6.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354137
PNG
(CHEMBL1836187)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C24H25N3O2S/c25-18-22(30(28,29)21-9-3-1-4-10-21)17-20-19-27(24-12-6-5-11-23(20)24)16-15-26-13-7-2-8-14-26/h1,3-6,9-12,17,19H,2,7-8,13-16H2/b22-17+
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7.5n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356536
PNG
(CHEMBL1909844)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.22,3.84,;8.12,2.59,;9.66,2.59,;10.13,1.13,;8.89,.23,;7.64,1.13,;6.18,.66,;5.7,-.8,;4.16,-.8,;3.68,.67,;4.93,1.57,;4.94,3.11,;8.88,-1.31,;7.54,-2.08,;7.54,-3.62,;8.87,-4.39,;8.87,-5.93,;10.21,-3.61,;10.21,-2.08,;11.54,-1.31,;10.56,3.83,;9.94,5.24,;12.1,3.67,;13,4.92,;14.54,4.74,;15.45,5.98,;14.83,7.39,;13.3,7.56,;12.38,6.31,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-15-6-3-2-4-7-15)26-28(17-10-9-14(22)12-16(17)23)21(13)27-11-5-8-18(27)24/h5,8-12,15H,2-4,6-7H2,1H3,(H,25,29)
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7.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356548
PNG
(CHEMBL1909856)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(9.73,-1.52,;10.63,-2.77,;12.17,-2.77,;12.64,-4.23,;11.4,-5.13,;10.15,-4.23,;8.68,-4.68,;8.18,-6.13,;6.64,-6.11,;6.19,-4.64,;7.45,-3.75,;7.47,-2.21,;11.39,-6.67,;10.05,-7.44,;10.05,-8.97,;11.38,-9.75,;11.38,-11.29,;12.72,-8.97,;14.06,-9.74,;12.72,-7.43,;13.07,-1.52,;12.45,-.12,;14.61,-1.69,;15.51,-.44,;17.05,-.61,;17.96,.62,;17.34,2.03,;15.81,2.2,;14.89,.96,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-14-6-3-2-4-7-14)26-28(15-9-10-16(22)17(23)12-15)21(13)27-11-5-8-18(27)24/h5,8-12,14H,2-4,6-7H2,1H3,(H,25,29)
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8.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Universita` del Piemonte Orientale

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cells membrane incubated for 90 mins


J Nat Prod 74: 2019-22 (2011)


Article DOI: 10.1021/np200500p
BindingDB Entry DOI: 10.7270/Q2BR8SKG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356538
PNG
(CHEMBL1909846)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(32.56,3.95,;33.46,2.71,;35,2.71,;35.47,1.24,;34.23,.34,;32.98,1.25,;31.52,.77,;30.27,1.69,;30.28,3.23,;29.02,.78,;29.5,-.68,;31.04,-.68,;31.94,-1.93,;34.22,-1.19,;32.88,-1.96,;32.88,-3.5,;34.21,-4.27,;34.21,-5.81,;35.55,-3.5,;35.55,-1.96,;36.88,-1.19,;35.9,3.95,;35.28,5.36,;37.44,3.79,;38.34,5.03,;39.88,4.86,;40.79,6.09,;40.17,7.52,;38.64,7.68,;37.72,6.43,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-14-5-3-2-4-6-14)27-29(16-8-7-13(22)11-15(16)23)21(12)28-17(24)9-10-18(28)25/h7-11,14H,2-6H2,1H3,(H,26,30)
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9.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50354135
PNG
(CHEMBL1836189)
Show SMILES O=S(=O)(C(=C\c1cn(CCN2CCOCC2)c2ccccc12)\C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O3S/c24-17-21(30(27,28)20-6-2-1-3-7-20)16-19-18-26(23-9-5-4-8-22(19)23)11-10-25-12-14-29-15-13-25/h1-9,16,18H,10-15H2/b21-16+
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10.2n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN 55,212-2 from human CB2 receptor expressed in human HEK293 cells after 90 mins by radioligand assay


Eur J Med Chem 46: 4489-505 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.023
BindingDB Entry DOI: 10.7270/Q2CF9QHB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50225147
PNG
(1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-...)
Show SMILES COc1ccc2c(n1)n(Cc1ccccc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
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11n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298945
PNG
(CHEMBL577165 | N-Cyclopentyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H20Cl2N4O/c1-13-18(19(27)23-14-6-2-3-7-14)24-26(20(13)25-10-4-5-11-25)15-8-9-16(21)17(22)12-15/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298936
PNG
(CHEMBL579249 | N-Cycloheptyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |(31.5,-24.15,;32.38,-22.88,;33.91,-22.86,;34.37,-21.39,;33.1,-20.5,;33.07,-18.96,;31.88,-21.43,;30.4,-20.98,;29.9,-19.53,;30.78,-18.26,;28.36,-19.56,;27.91,-21.02,;29.17,-21.91,;29.2,-23.45,;27.88,-24.24,;27.91,-25.78,;29.26,-26.52,;29.29,-28.06,;30.58,-25.73,;31.92,-26.48,;30.55,-24.2,;27.44,-18.33,;28.03,-16.91,;25.91,-18.52,;24.96,-17.28,;23.48,-17.59,;22.3,-16.6,;22.34,-15.06,;23.56,-14.14,;25.05,-14.51,;25.71,-15.94,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-15-10-11-16(2)29(15)24-17(3)22(23(31)27-18-8-6-4-5-7-9-18)28-30(24)19-12-13-20(25)21(26)14-19/h10-14,18H,4-9H2,1-3H3,(H,27,31)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298937
PNG
(CHEMBL575395 | N-Cyclopentyl-1-(3,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 |(13.91,-22.91,;14.79,-21.64,;16.32,-21.61,;16.76,-20.13,;15.5,-19.26,;15.46,-17.72,;14.28,-20.19,;12.8,-19.75,;12.29,-18.29,;13.16,-17.03,;10.75,-18.33,;10.31,-19.81,;11.57,-20.69,;11.61,-22.23,;10.3,-23.03,;10.34,-24.57,;11.69,-25.3,;11.72,-26.85,;13,-24.5,;14.35,-25.24,;12.96,-22.97,;9.81,-17.11,;10.4,-15.69,;8.29,-17.31,;7.35,-16.09,;5.81,-16.13,;5.3,-14.67,;6.52,-13.74,;7.79,-14.61,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-16-6-4-5-7-16)26-28(22)17-10-11-18(23)19(24)12-17/h8-12,16H,4-7H2,1-3H3,(H,25,29)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
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



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298935
PNG
(CHEMBL575382 | N-(Adamant-1-yl)1-(3,4-dichlorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.30.29,THB:23:24:27.26.31:29,25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24,(1.92,-40.22,;2.36,-38.57,;3.89,-38.49,;4.29,-36.99,;3,-36.16,;2.91,-34.62,;1.8,-37.13,;.31,-36.74,;-.25,-35.29,;.6,-34,;-1.79,-35.38,;-2.19,-36.87,;-.89,-37.71,;-.8,-39.25,;-2.1,-40.09,;-2.01,-41.63,;-.64,-42.33,;-.55,-43.87,;.65,-41.48,;2.03,-42.18,;.57,-39.95,;-2.76,-34.18,;-2.21,-32.74,;-4.28,-34.43,;-5.25,-33.23,;-6.2,-34.42,;-7.52,-33.9,;-8.92,-34.29,;-7.8,-33.1,;-7.81,-31.71,;-6.55,-31.26,;-7.52,-32.42,;-5.24,-31.8,;-6.56,-33.55,)|
Show InChI InChI=1S/C27H30Cl2N4O/c1-15-4-5-16(2)32(15)26-17(3)24(31-33(26)21-6-7-22(28)23(29)11-21)25(34)30-27-12-18-8-19(13-27)10-20(9-18)14-27/h4-7,11,18-20H,8-10,12-14H2,1-3H3,(H,30,34)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
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



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50298942
PNG
((R)-N-[1-(1-Cyclohexyl)ethyl]1-(3,4-dichlorophenyl...)
Show SMILES C[C@@H](NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)c(Cl)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H26Cl2N4O/c1-15-21(22(30)26-16(2)17-8-4-3-5-9-17)27-29(23(15)28-12-6-7-13-28)18-10-11-19(24)20(25)14-18/h6-7,10-14,16-17H,3-5,8-9H2,1-2H3,(H,26,30)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332886
PNG
(CHEMBL1631294 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H20Cl2N4O/c1-12-16(17(26)22-19(2,3)4)23-25(18(12)24-9-5-6-10-24)15-8-7-13(20)11-14(15)21/h5-11H,1-4H3,(H,22,26)
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14.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356552
PNG
(CHEMBL1909860)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-15-8-4-3-5-9-15)26-28(22(17)27-12-6-7-13-27)16-10-11-18(23)19(24)14-16/h6-7,10-15H,2-5,8-9H2,1H3,(H,25,29)
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15.3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356542
PNG
(CHEMBL1909850)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-16-8-4-3-5-9-16)26-28(22(17)27-12-6-7-13-27)19-11-10-15(23)14-18(19)24/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
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15.8n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
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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PubMed
16n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225152
PNG
(1-benzyl-N-cycloheptyl-4-oxo-1,4-dihydroquinoline-...)
Show SMILES O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H26N2O2/c27-23-20-14-8-9-15-22(20)26(16-18-10-4-3-5-11-18)17-21(23)24(28)25-19-12-6-1-2-7-13-19/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,28)
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17n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356536
PNG
(CHEMBL1909844)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.22,3.84,;8.12,2.59,;9.66,2.59,;10.13,1.13,;8.89,.23,;7.64,1.13,;6.18,.66,;5.7,-.8,;4.16,-.8,;3.68,.67,;4.93,1.57,;4.94,3.11,;8.88,-1.31,;7.54,-2.08,;7.54,-3.62,;8.87,-4.39,;8.87,-5.93,;10.21,-3.61,;10.21,-2.08,;11.54,-1.31,;10.56,3.83,;9.94,5.24,;12.1,3.67,;13,4.92,;14.54,4.74,;15.45,5.98,;14.83,7.39,;13.3,7.56,;12.38,6.31,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-15-6-3-2-4-7-15)26-28(17-10-9-14(22)12-16(17)23)21(13)27-11-5-8-18(27)24/h5,8-12,15H,2-4,6-7H2,1H3,(H,25,29)
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18.3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
BindingDB Entry DOI: 10.7270/Q2P55NXD
More data for this
Ligand-Target Pair
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