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Compile Data Set for Download or QSAR

Found 411 hits with Last Name = 'rabbito' 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 1


(Homo sapiens (Human))
BDBM50516776
PNG
(CHEMBL4437741)
Show SMILES CCCCCn1c2ccccc2s\c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
Show InChI InChI=1S/C23H30N2OS/c1-2-3-6-9-25-19-7-4-5-8-20(19)27-22(25)24-21(26)23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3/b24-22+
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0.100n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516789
PNG
(CHEMBL4559193)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2OS/c1-2-3-8-16-25-20-14-6-7-15-21(20)27-23(25)24-22(26)19-13-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3/b24-23-
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0.110n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516782
PNG
(CHEMBL4592199)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2OS/c1-2-3-6-12-25-16-10-4-5-11-17(16)27-19(25)24-18(26)14-8-7-9-15(13-14)20(21,22)23/h4-5,7-11,13H,2-3,6,12H2,1H3/b24-19-
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1n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506746
PNG
(CHEMBL4462947)
Show SMILES CCCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C |TLB:8:10:13.12.17:15,THB:8:10:13:17.16.15,11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C22H31NO3S/c1-4-5-6-17-13(2)18(20(24)26-3)19(27-17)23-21(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,4-12H2,1-3H3,(H,23,25)
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1.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516789
PNG
(CHEMBL4559193)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N2OS/c1-2-3-8-16-25-20-14-6-7-15-21(20)27-23(25)24-22(26)19-13-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3/b24-23-
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2n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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2n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
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



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202519
PNG
(CHEMBL3909238)
Show SMILES CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C22H29NO3S/c1-2-26-20(24)18-16-5-3-4-6-17(16)27-19(18)23-21(25)22-10-13-7-14(11-22)9-15(8-13)12-22/h13-15H,2-12H2,1H3,(H,23,25)
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2.20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506750
PNG
(CHEMBL2349625)
Show SMILES CCc1c(C)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(=O)OC |TLB:8:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Show InChI InChI=1S/C20H27NO3S/c1-4-15-11(2)25-17(16(15)18(22)24-3)21-19(23)20-8-12-5-13(9-20)7-14(6-12)10-20/h12-14H,4-10H2,1-3H3,(H,21,23)
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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 recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516288
PNG
(CHEMBL4530405)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506752
PNG
(CHEMBL4441693)
Show SMILES CCCc1c(C)sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1C(=O)OC |TLB:9:11:14.13.18:16,THB:9:11:14:18.17.16,12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C21H29NO3S/c1-4-5-16-12(2)26-18(17(16)19(23)25-3)22-20(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,4-11H2,1-3H3,(H,22,24)
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506761
PNG
(CHEMBL4471470)
Show SMILES COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |TLB:7:9:12.11.16:14,THB:7:9:12:16.15.14,10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C21H27NO3S/c1-25-19(23)17-15-4-2-3-5-16(15)26-18(17)22-20(24)21-9-12-6-13(10-21)8-14(7-12)11-21/h12-14H,2-11H2,1H3,(H,22,24)
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506767
PNG
(CHEMBL4476681)
Show SMILES CCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C |TLB:6:8:11.10.15:13,THB:6:8:11:15.14.13,9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C20H27NO3S/c1-4-15-11(2)16(18(22)24-3)17(25-15)21-19(23)20-8-12-5-13(9-20)7-14(6-12)10-20/h12-14H,4-10H2,1-3H3,(H,21,23)
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5.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202521
PNG
(CHEMBL3962080)
Show SMILES CCc1c(cc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
Show InChI InChI=1S/C25H30N2O2/c1-18-16-21(25(29)19-8-3-2-4-9-19)12-13-22(18)26-24(28)17-20-10-7-15-27-14-6-5-11-23(20)27/h2-4,8-9,12-13,16,20,23H,5-7,10-11,14-15,17H2,1H3,(H,26,28)/t20-,23+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506747
PNG
(CHEMBL4557732)
Show SMILES COC(=O)c1cc(sc1NC(=O)C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:10:12:15.14.19:17,THB:10:12:15:19.18.17,13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C23H25NO3S/c1-27-21(25)18-10-19(17-5-3-2-4-6-17)28-20(18)24-22(26)23-11-14-7-15(12-23)9-16(8-14)13-23/h2-6,10,14-16H,7-9,11-13H2,1H3,(H,24,26)
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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 recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506764
PNG
(CHEMBL4545068)
Show SMILES CCCc1cc(C(=O)OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 |TLB:12:14:17.16.21:19,THB:12:14:17:21.20.19,15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C20H27NO3S/c1-3-4-15-8-16(18(22)24-2)17(25-15)21-19(23)20-9-12-5-13(10-20)7-14(6-12)11-20/h8,12-14H,3-7,9-11H2,1-2H3,(H,21,23)
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7.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202511
PNG
(CHEMBL3982062)
Show SMILES Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
Show InChI InChI=1S/C23H28N2O/c1-15-8-21(16(2)25(15)20-6-4-3-5-7-20)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-8,17-19H,9-14H2,1-2H3,(H,24,26)
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7.60n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506762
PNG
(CHEMBL4537616)
Show SMILES CCCCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1-c1ccccc1 |TLB:9:11:14.13.18:16,THB:9:11:14:18.17.16,12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C28H35NO3S/c1-3-4-6-11-22-23(21-9-7-5-8-10-21)24(26(30)32-2)25(33-22)29-27(31)28-15-18-12-19(16-28)14-20(13-18)17-28/h5,7-10,18-20H,3-4,6,11-17H2,1-2H3,(H,29,31)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
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



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506763
PNG
(CHEMBL4440363)
Show SMILES COC(=O)c1c(C)c(C)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:12:14:17.16.21:19,THB:12:14:17:21.20.19,15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C19H25NO3S/c1-10-11(2)24-16(15(10)17(21)23-3)20-18(22)19-7-12-4-13(8-19)6-14(5-12)9-19/h12-14H,4-9H2,1-3H3,(H,20,22)
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9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516776
PNG
(CHEMBL4437741)
Show SMILES CCCCCn1c2ccccc2s\c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21|
Show InChI InChI=1S/C23H30N2OS/c1-2-3-6-9-25-19-7-4-5-8-20(19)27-22(25)24-21(26)23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3/b24-22+
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12n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202514
PNG
(CHEMBL3930225)
Show SMILES CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2CCCCc12
Show InChI InChI=1S/C22H21NO3S/c1-2-26-22(25)19-17-11-5-6-13-18(17)27-21(19)23-20(24)16-12-7-9-14-8-3-4-10-15(14)16/h3-4,7-10,12H,2,5-6,11,13H2,1H3,(H,23,24)
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17n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516303
PNG
(CHEMBL4473425)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C30H22N2O3/c1-34-25-16-12-23(13-17-25)30-28(26-4-2-3-5-27(26)35-30)29(33)22-10-14-24(15-11-22)32-19-21-8-6-20(18-31)7-9-21/h2-17,32H,19H2,1H3
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20n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202523
PNG
(CHEMBL3981080)
Show SMILES CCc1c(cc(C)n1-c1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H22N2O/c1-3-23-21(16-17(2)26(23)19-12-5-4-6-13-19)24(27)25-22-15-9-11-18-10-7-8-14-20(18)22/h4-16H,3H2,1-2H3,(H,25,27)
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20n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516290
PNG
(CHEMBL4442990)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H22FNO3/c1-33-24-16-10-21(11-17-24)29-27(25-4-2-3-5-26(25)34-29)28(32)20-8-14-23(15-9-20)31-18-19-6-12-22(30)13-7-19/h2-17,31H,18H2,1H3
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20n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516288
PNG
(CHEMBL4530405)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506749
PNG
(CHEMBL4437411)
Show SMILES COC(=O)c1c(NC(=O)NC23CC4CC(CC(C4)C2)C3)sc2CCCCc12 |TLB:9:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10,9:10:13:17.16.15|
Show InChI InChI=1S/C21H28N2O3S/c1-26-19(24)17-15-4-2-3-5-16(15)27-18(17)22-20(25)23-21-9-12-6-13(10-21)8-14(7-12)11-21/h12-14H,2-11H2,1H3,(H2,22,23,25)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506753
PNG
(CHEMBL4472381)
Show SMILES COC(=O)c1cc(C)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:11:13:16.15.20:18,THB:11:13:16:20.19.18,14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C18H23NO3S/c1-10-3-14(16(20)22-2)15(23-10)19-17(21)18-7-11-4-12(8-18)6-13(5-11)9-18/h3,11-13H,4-9H2,1-2H3,(H,19,21)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516797
PNG
(CHEMBL4576974)
Show SMILES CCCCCn1c2ccccc2s\c1=N/C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N2OS/c1-2-3-6-13-25-16-7-4-5-8-17(16)27-19(25)24-18(26)14-9-11-15(12-10-14)20(21,22)23/h4-5,7-12H,2-3,6,13H2,1H3/b24-19-
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25n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160434
PNG
((6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(I)ccc12
Show InChI InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506765
PNG
(CHEMBL4456199)
Show SMILES COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)scc1-c1ccccc1 |TLB:7:9:12.11.16:14,THB:7:9:12:16.15.14,10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C23H25NO3S/c1-27-21(25)19-18(17-5-3-2-4-6-17)13-28-20(19)24-22(26)23-10-14-7-15(11-23)9-16(8-14)12-23/h2-6,13-16H,7-12H2,1H3,(H,24,26)
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506745
PNG
(CHEMBL4437727)
Show SMILES COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2CSCCc12 |TLB:7:9:12.11.16:14,THB:7:9:12:16.15.14,10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C20H25NO3S2/c1-24-18(22)16-14-2-3-25-10-15(14)26-17(16)21-19(23)20-7-11-4-12(8-20)6-13(5-11)9-20/h11-13H,2-10H2,1H3,(H,21,23)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202539
PNG
(CHEMBL3953330)
Show SMILES CCc1c(cc(C)n1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C24H22N2O/c1-3-23-22(15-17(2)26(23)21-11-5-4-6-12-21)24(27)25-20-14-13-18-9-7-8-10-19(18)16-20/h4-16H,3H2,1-2H3,(H,25,27)
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57n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202515
PNG
(CHEMBL3921132)
Show SMILES Cc1cc(C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccccc1
Show InChI InChI=1S/C23H20N2O/c1-16-14-22(17(2)25(16)21-10-4-3-5-11-21)23(26)24-20-13-12-18-8-6-7-9-19(18)15-20/h3-15H,1-2H3,(H,24,26)
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58n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50506746
PNG
(CHEMBL4462947)
Show SMILES CCCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C |TLB:8:10:13.12.17:15,THB:8:10:13:17.16.15,11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Show InChI InChI=1S/C22H31NO3S/c1-4-5-6-17-13(2)18(20(24)26-3)19(27-17)23-21(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16H,4-12H2,1-3H3,(H,23,25)
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202520
PNG
(CHEMBL3892329)
Show SMILES CCOC(=O)c1cc(sc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H19NO3S/c1-2-28-24(27)20-15-21(17-10-4-3-5-11-17)29-23(20)25-22(26)19-14-8-12-16-9-6-7-13-18(16)19/h3-15H,2H2,1H3,(H,25,26)
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60n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50506768
PNG
(CHEMBL4471569)
Show SMILES COC(=O)c1c(C)noc1NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:11:13:16.15.20:18,THB:11:13:16:20.19.18,14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C17H22N2O4/c1-9-13(15(20)22-2)14(23-19-9)18-16(21)17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,3-8H2,1-2H3,(H,18,21)
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516291
PNG
(CHEMBL4454301)
Show SMILES CCCCCNc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H27NO3/c1-3-4-7-18-28-21-14-10-19(11-15-21)26(29)25-23-8-5-6-9-24(23)31-27(25)20-12-16-22(30-2)17-13-20/h5-6,8-17,28H,3-4,7,18H2,1-2H3
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70n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516291
PNG
(CHEMBL4454301)
Show SMILES CCCCCNc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H27NO3/c1-3-4-7-18-28-21-14-10-19(11-15-21)26(29)25-23-8-5-6-9-24(23)31-27(25)20-12-16-22(30-2)17-13-20/h5-6,8-17,28H,3-4,7,18H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50516787
PNG
(CHEMBL4556046)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:3:6:10.8.9,11:9:6:3.12.4|
Show InChI InChI=1S/C18H20N2OS/c21-16(17-19-14-3-1-2-4-15(14)22-17)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,20,21)
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82n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202543
PNG
(CHEMBL3963856)
Show SMILES Cc1cc(C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1
Show InChI InChI=1S/C23H20N2O/c1-16-15-21(17(2)25(16)19-11-4-3-5-12-19)23(26)24-22-14-8-10-18-9-6-7-13-20(18)22/h3-15H,1-2H3,(H,24,26)
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84n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516298
PNG
(CHEMBL4520615)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCC2CC2)cc1
Show InChI InChI=1S/C26H23NO3/c1-29-21-14-10-19(11-15-21)26-24(22-4-2-3-5-23(22)30-26)25(28)18-8-12-20(13-9-18)27-16-17-6-7-17/h2-5,8-15,17,27H,6-7,16H2,1H3
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110n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202522
PNG
(CHEMBL3910349)
Show SMILES CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C20H23NO3S/c1-2-24-20(23)18-15-10-6-7-11-16(15)25-19(18)21-17(22)13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,21,22)
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112n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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117n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2R expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation analysis


Eur J Med Chem 180: 154-170 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.002
BindingDB Entry DOI: 10.7270/Q2R214R1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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117n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200170
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r|
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)/t22-,27-,29+/m1/s1
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117n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1R expressed in HEK293 cell membranes measured after 90 mins


Eur J Med Chem 161: 239-251 (2019)


Article DOI: 10.1016/j.ejmech.2018.09.070
BindingDB Entry DOI: 10.7270/Q29C71P7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50516289
PNG
(CHEMBL4527727)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H31NO4/c1-34(23-24-9-4-3-5-10-24)21-8-22-37-28-19-13-25(14-20-28)32(35)31-29-11-6-7-12-30(29)38-33(31)26-15-17-27(36-2)18-16-26/h3-7,9-20H,8,21-23H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...


Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50202510
PNG
(CHEMBL3968899)
Show SMILES Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-14-13-18(19(22)20-16-9-5-3-6-10-16)15(2)21(14)17-11-7-4-8-12-17/h4,7-8,11-13,16H,3,5-6,9-10H2,1-2H3,(H,20,22)
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168n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay


Eur J Med Chem 122: 619-634 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.012
BindingDB Entry DOI: 10.7270/Q2057HX9
More data for this
Ligand-Target Pair
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