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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'dore' and Initial = 'a'   
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


(MOUSE)
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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0.0370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB2 receptor in CD-1 mouse spleen homogenate after 1 hr by liquid scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
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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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human frontal cortex CB2 receptor expressed in CHO cell membrane after 1 hr by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058435
PNG
(CHEMBL3331463)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCCC2)s1
Show InChI InChI=1S/C22H22Cl2N4OS/c1-13-10-15-19(30-13)12-16-20(22(29)26-27-8-4-2-3-5-9-27)25-28(21(15)16)18-7-6-14(23)11-17(18)24/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,26,29)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058436
PNG
(CHEMBL3331464)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)s1
Show InChI InChI=1S/C21H20Cl2N4OS/c1-12-9-14-18(29-12)11-15-19(21(28)25-26-7-3-2-4-8-26)24-27(20(14)15)17-6-5-13(22)10-16(17)23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,25,28)
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058437
PNG
(CHEMBL3329245)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NC1[C@@]2(C)CCC(C2)C1(C)C |r,TLB:22:23:29:27.26|
Show InChI InChI=1S/C28H33N3OS/c1-16-6-8-18(9-7-16)14-31-24-20(12-21-22(24)17(2)15-33-21)23(30-31)25(32)29-26-27(3,4)19-10-11-28(26,5)13-19/h6-9,15,19,26H,10-14H2,1-5H3,(H,29,32)/t19?,26?,28-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM82141
PNG
(WIN 55212-2)
Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6|
Show InChI InChI=1S/C27H28N2O3/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/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058438
PNG
(CHEMBL3329244)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1scc(C)c-21 |r|
Show InChI InChI=1S/C28H35N3OS/c1-16(2)21-11-8-18(4)12-23(21)29-28(32)26-22-13-24-25(19(5)15-33-24)27(22)31(30-26)14-20-9-6-17(3)7-10-20/h6-7,9-10,15-16,18,21,23H,8,11-14H2,1-5H3,(H,29,32)/t18-,21+,23?/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058500
PNG
(CHEMBL3331452)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1sc(C)cc-21 |r|
Show InChI InChI=1S/C28H35N3OS/c1-16(2)21-11-8-18(4)12-24(21)29-28(32)26-23-14-25-22(13-19(5)33-25)27(23)31(30-26)15-20-9-6-17(3)7-10-20/h6-7,9-10,13,16,18,21,24H,8,11-12,14-15H2,1-5H3,(H,29,32)/t18-,21+,24?/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058508
PNG
(CHEMBL3331460)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(c-2c1Cc1sc(C)cc-21)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H29Cl2N3OS/c1-13(2)17-7-5-14(3)9-21(17)29-26(32)24-19-12-23-18(10-15(4)33-23)25(19)31(30-24)22-8-6-16(27)11-20(22)28/h6,8,10-11,13-14,17,21H,5,7,9,12H2,1-4H3,(H,29,32)/t14-,17+,21?/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058501
PNG
(CHEMBL3331453)
Show SMILES Cc1csc2Cc3c(nn(c3-c12)-c1ccc(Cl)cc1Cl)C(=O)NC1[C@@]2(C)CCC(C2)C1(C)C |r,THB:22:23:26.27:29|
Show InChI InChI=1S/C26H27Cl2N3OS/c1-13-12-33-19-10-16-21(23(32)29-24-25(2,3)14-7-8-26(24,4)11-14)30-31(22(16)20(13)19)18-6-5-15(27)9-17(18)28/h5-6,9,12,14,24H,7-8,10-11H2,1-4H3,(H,29,32)/t14?,24?,26-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058508
PNG
(CHEMBL3331460)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(c-2c1Cc1sc(C)cc-21)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H29Cl2N3OS/c1-13(2)17-7-5-14(3)9-21(17)29-26(32)24-19-12-23-18(10-15(4)33-23)25(19)31(30-24)22-8-6-16(27)11-20(22)28/h6,8,10-11,13-14,17,21H,5,7,9,12H2,1-4H3,(H,29,32)/t14-,17+,21?/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058502
PNG
(CHEMBL3331454)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(c-2c1Cc1scc(C)c-21)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H29Cl2N3OS/c1-13(2)17-7-5-14(3)9-20(17)29-26(32)24-18-11-22-23(15(4)12-33-22)25(18)31(30-24)21-8-6-16(27)10-19(21)28/h6,8,10,12-14,17,20H,5,7,9,11H2,1-4H3,(H,29,32)/t14-,17+,20?/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058433
PNG
(CHEMBL3331461)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)s1
Show InChI InChI=1S/C22H21Cl2N3OS/c1-12-9-15-19(29-12)11-16-20(22(28)25-14-5-3-2-4-6-14)26-27(21(15)16)18-8-7-13(23)10-17(18)24/h7-10,14H,2-6,11H2,1H3,(H,25,28)
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7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM82141
PNG
(WIN 55212-2)
Show SMILES CC1=C(C2C=CC=C3OC[C@@H](CN4CCOCC4)N1C23)C(=O)c1cccc2ccccc12 |r,c:4,t:1,6|
Show InChI InChI=1S/C27H28N2O3/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/h2-11,20,23,26H,12-17H2,1H3/t20-,23?,26?/m1/s1
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534085
PNG
(CHEMBL4458732)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:26:27:24.25.30:31,THB:26:25:31:32.27.28,28:27:24:30.29.31,28:29:24:32.26.27|
Show InChI InChI=1S/C28H28N4O/c1-17-4-6-21(7-5-17)25-12-23-22(3-2-8-29-23)26-13-24(31-32(25)26)27(33)30-28-14-18-9-19(15-28)11-20(10-18)16-28/h2-8,12-13,18-20H,9-11,14-16H2,1H3,(H,30,33)
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33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058434
PNG
(CHEMBL3331462)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCC2)s1
Show InChI InChI=1S/C20H18Cl2N4OS/c1-11-8-13-17(28-11)10-14-18(20(27)24-25-6-2-3-7-25)23-26(19(13)14)16-5-4-12(21)9-15(16)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,24,27)
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534088
PNG
(CHEMBL4453164)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)N[C@H]1CC2CCC1(C)C2(C)C |r,TLB:22:23:27.26:30|
Show InChI InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-15-21-20(6-5-13-29-21)24-16-22(31-32(23)24)26(33)30-25-14-19-11-12-28(25,4)27(19,2)3/h5-10,13,15-16,19,25H,11-12,14H2,1-4H3,(H,30,33)/t19?,25-,28?/m0/s1
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53n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534082
PNG
(CHEMBL4448088)
Show SMILES CC1(C)C2CC1[C@H](CNC(=O)c1cc3c4cccnc4cc(-c4ccc(Cl)cc4Cl)n3n1)CC2 |r,TLB:7:6:1:4|
Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2)16-6-5-15(20(27)10-16)14-31-26(34)23-13-25-19-4-3-9-30-22(19)12-24(33(25)32-23)18-8-7-17(28)11-21(18)29/h3-4,7-9,11-13,15-16,20H,5-6,10,14H2,1-2H3,(H,31,34)/t15-,16?,20?/m0/s1
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67n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058498
PNG
(CHEMBL3331450)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C24H28N4OS/c1-16-7-9-18(10-8-16)14-28-23-19(13-20-21(23)17(2)15-30-20)22(25-28)24(29)26-27-11-5-3-4-6-12-27/h7-10,15H,3-6,11-14H2,1-2H3,(H,26,29)
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69n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534091
PNG
(CHEMBL4525460)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC[C@@H]1CCC2CC1C2(C)C |r,THB:23:24:30:28|
Show InChI InChI=1S/C28H30N4O/c1-17-6-8-18(9-7-17)25-14-23-21(5-4-12-29-23)26-15-24(31-32(25)26)27(33)30-16-19-10-11-20-13-22(19)28(20,2)3/h4-9,12,14-15,19-20,22H,10-11,13,16H2,1-3H3,(H,30,33)/t19-,20?,22?/m0/s1
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120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058499
PNG
(CHEMBL3331451)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H26N4OS/c1-15-6-8-17(9-7-15)13-27-22-18(12-19-20(22)16(2)14-29-19)21(24-27)23(28)25-26-10-4-3-5-11-26/h6-9,14H,3-5,10-13H2,1-2H3,(H,25,28)
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125n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534090
PNG
(CHEMBL4528488)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:22:23:25:29.28.27,THB:23:24:27:32.31.30,23:31:25.24.29:27,30:31:25:29.28.27,30:28:25:32.23.31,(14.71,-21.04,;13.39,-20.25,;12.05,-21,;10.72,-20.21,;10.74,-18.67,;12.1,-17.92,;13.41,-18.71,;9.42,-17.89,;8.08,-18.64,;6.75,-17.85,;5.41,-18.6,;4.09,-17.81,;4.11,-16.27,;5.45,-15.52,;6.78,-16.31,;8.12,-15.56,;8.46,-14.06,;10,-13.92,;10.6,-15.33,;9.44,-16.35,;10.78,-12.6,;10.03,-11.24,;12.31,-12.6,;12.7,-11.11,;14.1,-10.54,;15.6,-10.95,;14.4,-9.68,;14.4,-8.2,;13.05,-7.73,;14.1,-8.96,;11.66,-8.31,;11.68,-9.84,;13.07,-10.18,)|
Show InChI InChI=1S/C28H28N4O/c1-16-4-6-19(7-5-16)25-14-23-22(3-2-8-29-23)26-15-24(31-32(25)26)28(33)30-27-20-10-17-9-18(12-20)13-21(27)11-17/h2-8,14-15,17-18,20-21,27H,9-13H2,1H3,(H,30,33)
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133n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058438
PNG
(CHEMBL3329244)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1scc(C)c-21 |r|
Show InChI InChI=1S/C28H35N3OS/c1-16(2)21-11-8-18(4)12-23(21)29-28(32)26-22-13-24-25(19(5)15-33-24)27(22)31(30-26)14-20-9-6-17(3)7-10-20/h6-7,9-10,15-16,18,21,23H,8,11-14H2,1-5H3,(H,29,32)/t18-,21+,23?/m0/s1
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160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058500
PNG
(CHEMBL3331452)
Show SMILES CC(C)[C@H]1CC[C@H](C)CC1NC(=O)c1nn(Cc2ccc(C)cc2)c-2c1Cc1sc(C)cc-21 |r|
Show InChI InChI=1S/C28H35N3OS/c1-16(2)21-11-8-18(4)12-24(21)29-28(32)26-23-14-25-22(13-19(5)33-25)27(23)31(30-26)15-20-9-6-17(3)7-10-20/h6-7,9-10,13,16,18,21,24H,8,11-12,14-15H2,1-5H3,(H,29,32)/t18-,21+,24?/m0/s1
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180n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058496
PNG
(CHEMBL3331448)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H27N3OS/c1-15-8-10-17(11-9-15)13-27-23-19(12-20-21(23)16(2)14-29-20)22(26-27)24(28)25-18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,25,28)
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191n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534089
PNG
(CHEMBL4549921)
Show SMILES C[C@H]1CC2CC(C1NC(=O)c1cc3c4cccnc4cc(-c4ccc(C)cc4)n3n1)C2(C)C |r,TLB:7:6:4:30,THB:0:1:4:30|
Show InChI InChI=1S/C28H30N4O/c1-16-7-9-18(10-8-16)24-14-22-20(6-5-11-29-22)25-15-23(31-32(24)25)27(33)30-26-17(2)12-19-13-21(26)28(19,3)4/h5-11,14-15,17,19,21,26H,12-13H2,1-4H3,(H,30,33)/t17-,19?,21?,26?/m0/s1
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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534087
PNG
(CHEMBL4520356)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc2c3cccnc3cc(-c3ccc(C)cc3)n2n1 |r|
Show InChI InChI=1S/C28H32N4O/c1-17(2)21-12-9-19(4)14-24(21)30-28(33)25-16-27-22-6-5-13-29-23(22)15-26(32(27)31-25)20-10-7-18(3)8-11-20/h5-8,10-11,13,15-17,19,21,24H,9,12,14H2,1-4H3,(H,30,33)/t19-,21+,24-/m1/s1
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280n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058506
PNG
(CHEMBL3331458)
Show SMILES Cc1csc2Cc3c(nn(c3-c12)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C22H22Cl2N4OS/c1-13-12-30-18-11-15-20(22(29)26-27-8-4-2-3-5-9-27)25-28(21(15)19(13)18)17-7-6-14(23)10-16(17)24/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,26,29)
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321n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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363n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in CD-1 mouse cerebellum membrane after 1 hr by liquid scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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371n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058499
PNG
(CHEMBL3331451)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H26N4OS/c1-15-6-8-17(9-7-15)13-27-22-18(12-19-20(22)16(2)14-29-19)21(24-27)23(28)25-26-10-4-3-5-11-26/h6-9,14H,3-5,10-13H2,1-2H3,(H,25,28)
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377n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
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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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human U937 cell-derived CB1 receptor expressed in CHO cell membrane after 1 hr by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor after 1 hr by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058437
PNG
(CHEMBL3329245)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NC1[C@@]2(C)CCC(C2)C1(C)C |r,TLB:22:23:29:27.26|
Show InChI InChI=1S/C28H33N3OS/c1-16-6-8-18(9-7-16)14-31-24-20(12-21-22(24)17(2)15-33-21)23(30-31)25(32)29-26-27(3,4)19-10-11-28(26,5)13-19/h6-9,15,19,26H,10-14H2,1-5H3,(H,29,32)/t19?,26?,28-/m0/s1
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420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058436
PNG
(CHEMBL3331464)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)s1
Show InChI InChI=1S/C21H20Cl2N4OS/c1-12-9-14-18(29-12)11-15-19(21(28)25-26-7-3-2-4-8-26)24-27(20(14)15)17-6-5-13(22)10-16(17)23/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,25,28)
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440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058435
PNG
(CHEMBL3331463)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCCC2)s1
Show InChI InChI=1S/C22H22Cl2N4OS/c1-13-10-15-19(30-13)12-16-20(22(29)26-27-8-4-2-3-5-9-27)25-28(21(15)16)18-7-6-14(23)11-17(18)24/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,26,29)
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442n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058433
PNG
(CHEMBL3331461)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)s1
Show InChI InChI=1S/C22H21Cl2N3OS/c1-12-9-15-19(29-12)11-16-20(22(28)25-14-5-3-2-4-6-14)26-27(21(15)16)18-8-7-13(23)10-17(18)24/h7-10,14H,2-6,11H2,1H3,(H,25,28)
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447n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM26144
PNG
(1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
Show InChI InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
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472n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058504
PNG
(CHEMBL3331456)
Show SMILES Cc1csc2Cc3c(nn(c3-c12)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H21Cl2N3OS/c1-12-11-29-18-10-15-20(22(28)25-14-5-3-2-4-6-14)26-27(21(15)19(12)18)17-8-7-13(23)9-16(17)24/h7-9,11,14H,2-6,10H2,1H3,(H,25,28)
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501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058497
PNG
(CHEMBL3331449)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NN1CCCC1
Show InChI InChI=1S/C22H24N4OS/c1-14-5-7-16(8-6-14)12-26-21-17(11-18-19(21)15(2)13-28-18)20(23-26)22(27)24-25-9-3-4-10-25/h5-8,13H,3-4,9-12H2,1-2H3,(H,24,27)
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515n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058507
PNG
(CHEMBL3331459)
Show SMILES Cc1csc2Cc3c(nn(c3-c12)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4OS/c1-12-11-29-17-10-14-19(21(28)25-26-7-3-2-4-8-26)24-27(20(14)18(12)17)16-6-5-13(22)9-15(16)23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,25,28)
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578n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058503
PNG
(CHEMBL3331455)
Show SMILES Cc1csc2Cc3c(nn(c3-c12)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C20H18Cl2N4O2S/c1-11-10-29-16-9-13-18(20(27)24-25-4-6-28-7-5-25)23-26(19(13)17(11)16)15-3-2-12(21)8-14(15)22/h2-3,8,10H,4-7,9H2,1H3,(H,24,27)
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747n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534083
PNG
(CHEMBL4443516)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C |r,TLB:22:23:29:27.26|
Show InChI InChI=1S/C28H30N4O/c1-17-7-9-18(10-8-17)23-14-21-20(6-5-13-29-21)24-15-22(31-32(23)24)25(33)30-26-27(2,3)19-11-12-28(26,4)16-19/h5-10,13-15,19,26H,11-12,16H2,1-4H3,(H,30,33)/t19?,26-,28?/m1/s1
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50058505
PNG
(CHEMBL3331457)
Show SMILES Cc1csc2Cc3c(nn(c3-c12)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C20H18Cl2N4OS/c1-11-10-28-16-9-13-18(20(27)24-25-6-2-3-7-25)23-26(19(13)17(11)16)15-5-4-12(21)8-14(15)22/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,24,27)
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817n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse spleen CB2 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50534084
PNG
(CHEMBL4467772)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23N5O/c1-16-7-9-17(10-8-16)21-14-19-18(6-5-11-24-19)22-15-20(25-28(21)22)23(29)26-27-12-3-2-4-13-27/h5-11,14-15H,2-4,12-13H2,1H3,(H,26,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
BindingDB Entry DOI: 10.7270/Q2HT2SV1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058498
PNG
(CHEMBL3331450)
Show SMILES Cc1csc2Cc3c(nn(Cc4ccc(C)cc4)c3-c12)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C24H28N4OS/c1-16-7-9-18(10-8-16)14-28-23-19(13-20-21(23)17(2)15-30-20)22(25-28)24(29)26-27-11-5-3-4-6-12-27/h7-10,15H,3-6,11-14H2,1-2H3,(H,26,29)
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1.28E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50058434
PNG
(CHEMBL3331462)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCC2)s1
Show InChI InChI=1S/C20H18Cl2N4OS/c1-11-8-13-17(28-11)10-14-18(20(27)24-25-6-2-3-7-25)23-26(19(13)14)16-5-4-12(21)9-15(16)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,24,27)
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1.39E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CD1 mouse brain (minus cerebellum) CB1 receptor by liquid scintillation counting


Eur J Med Chem 85: 747-57 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.042
BindingDB Entry DOI: 10.7270/Q2X068Q0
More data for this
Ligand-Target Pair
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