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PubMed code 26756097

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156100
PNG
(CHEMBL3780550)
Show SMILES CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-25-8-7-22(18(2)3)13-23(25)14-24(27(30)32)26(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h7-8,13-14,18-21H,4-6,9-12,15-17H2,1-3H3,(H,29,31)
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0.260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156101
PNG
(CHEMBL3780075)
Show SMILES CCCCCn1c2CCCCc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C25H36N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h16-18,28H,2-15H2,1H3,(H,26,29)
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0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


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



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
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0.970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


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



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272510
PNG
(CHEMBL523577 | N-(Adamant-1-yl)-4-oxo-1-pentyl-6-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180040
PNG
(4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


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



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

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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5.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272388
PNG
(6-Isopropyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156094
PNG
(CHEMBL3782042)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)c(F)cc12 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:14.15.20:12,16:15:12:17.19.18|
Show InChI InChI=1S/C28H37FN2O2/c1-4-5-6-7-31-16-23(26(32)22-11-21(17(2)3)24(29)12-25(22)31)27(33)30-28-13-18-8-19(14-28)10-20(9-18)15-28/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,30,33)
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7.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156101
PNG
(CHEMBL3780075)
Show SMILES CCCCCn1c2CCCCc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C25H36N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h16-18,28H,2-15H2,1H3,(H,26,29)
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8.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156093
PNG
(CHEMBL3781965)
Show SMILES CC(C)c1cc2c(cc1F)n(CCN(C)C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:28:27:30:24.23.22,28:23:30:27.29.26,THB:26:27:24.25.30:22,26:25:22:27.29.28|
Show InChI InChI=1S/C27H36FN3O2/c1-16(2)20-10-21-24(11-23(20)28)31(6-5-30(3)4)15-22(25(21)32)26(33)29-27-12-17-7-18(13-27)9-19(8-17)14-27/h10-11,15-19H,5-9,12-14H2,1-4H3,(H,29,33)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156100
PNG
(CHEMBL3780550)
Show SMILES CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-25-8-7-22(18(2)3)13-23(25)14-24(27(30)32)26(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h7-8,13-14,18-21H,4-6,9-12,15-17H2,1-3H3,(H,29,31)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


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



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156099
PNG
(CHEMBL3780862)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(OC)cc2)c1=O)-c1cccs1
Show InChI InChI=1S/C27H28N2O4S/c1-3-4-5-14-29-22-13-10-19(23-7-6-15-34-23)16-21(22)25(30)24(27(29)32)26(31)28-17-18-8-11-20(33-2)12-9-18/h6-13,15-16,30H,3-5,14,17H2,1-2H3,(H,28,31)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156096
PNG
(CHEMBL3781481)
Show SMILES OCCCCn1c2ccccc2c(O)c(C(=O)NCC2CCCCC2)c1=O
Show InChI InChI=1S/C21H28N2O4/c24-13-7-6-12-23-17-11-5-4-10-16(17)19(25)18(21(23)27)20(26)22-14-15-8-2-1-3-9-15/h4-5,10-11,15,24-25H,1-3,6-9,12-14H2,(H,22,26)
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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180040
PNG
(4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)
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42n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156029
PNG
(CHEMBL3779996)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:15.16.21:13,17:16:13:18.20.19|
Show InChI InChI=1S/C29H35NO10S/c1-13(32)36-24-20(12-31)39-28(26(38-15(3)34)25(24)37-14(2)33)41-21-8-6-17-18-11-16-5-7-19(35)23-22(16)29(17,27(21)40-23)9-10-30(18)4/h5-8,17-18,20-21,24-28,31,35H,9-12H2,1-4H3/t17-,18+,20?,21?,24?,25?,26?,27-,28?,29-/m0/s1
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156028
PNG
(CHEMBL3781544)
Show SMILES CN(C)CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:14.15.20:12,16:15:12:17.19.18|
Show InChI InChI=1S/C33H39NO12S/c1-15(35)40-14-24-28(42-17(3)37)29(43-18(4)38)30(44-19(5)39)32(45-24)47-25-10-8-21-22-13-20-7-9-23(41-16(2)36)27-26(20)33(21,31(25)46-27)11-12-34(22)6/h7-10,21-22,24-25,28-32H,11-14H2,1-6H3/t21-,22+,24?,25?,28?,29?,30?,31-,32?,33-/m0/s1
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60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156095
PNG
(CHEMBL3781896)
Show SMILES CCCCCn1c2cc(F)c(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C28H37FN2O3/c1-4-5-6-7-31-23-12-22(29)20(16(2)3)11-21(23)25(32)24(27(31)34)26(33)30-28-13-17-8-18(14-28)10-19(9-17)15-28/h11-12,16-19,32H,4-10,13-15H2,1-3H3,(H,30,33)
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66n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
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108n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156025
PNG
(CHEMBL3781216)
Show SMILES CC(C)c1ccc2n(CCN(C)C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C27H37N3O2/c1-17(2)21-5-6-24-22(12-21)25(31)23(16-30(24)8-7-29(3)4)26(32)28-27-13-18-9-19(14-27)11-20(10-18)15-27/h5-6,12,16-20H,7-11,13-15H2,1-4H3,(H,28,32)
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146n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156099
PNG
(CHEMBL3780862)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(OC)cc2)c1=O)-c1cccs1
Show InChI InChI=1S/C27H28N2O4S/c1-3-4-5-14-29-22-13-10-19(23-7-6-15-34-23)16-21(22)25(30)24(27(29)32)26(31)28-17-18-8-11-20(33-2)12-9-18/h6-13,15-16,30H,3-5,14,17H2,1-2H3,(H,28,31)
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159n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156030
PNG
(CHEMBL3781729)
Show SMILES Fc1ccc2c(c1)n(CCN1CCS(=O)(=O)CC1)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:30:29:32:26.25.24,30:25:32:29.31.28,THB:28:29:26.27.32:24,28:27:24:29.31.30|
Show InChI InChI=1S/C32H37NO12S/c1-14(34)40-21-9-7-18-13-20-19-8-10-22(29-32(19,11-12-33(20)5)23(18)24(21)44-29)46-31-28(43-17(4)37)26(42-16(3)36)25(41-15(2)35)27(45-31)30(38)39-6/h7-10,19-20,22,25-29,31H,11-13H2,1-6H3/t19-,20+,22?,25?,26?,27?,28?,29-,31?,32-/m0/s1
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246n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156097
PNG
(CHEMBL3781991)
Show SMILES OCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O)-c1ccco1
Show InChI InChI=1S/C25H23FN2O5/c26-18-8-5-16(6-9-18)15-27-24(31)22-23(30)19-14-17(21-4-3-13-33-21)7-10-20(19)28(25(22)32)11-1-2-12-29/h3-10,13-14,29-30H,1-2,11-12,15H2,(H,27,31)
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253n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156026
PNG
(CHEMBL3781594)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:15.16.21:13,17:16:13:18.20.19|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)38-13-22-26(39-15(2)34)27(40-16(3)35)28(41-17(4)36)30(42-22)44-23-9-7-19-20-12-18-6-8-21(37)25-24(18)31(19,29(23)43-25)10-11-32(20)5/h6-9,19-20,22-23,26-30,37H,10-13H2,1-5H3/t19-,20+,22?,23?,26?,27?,28?,29-,30?,31-/m0/s1
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480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156028
PNG
(CHEMBL3781544)
Show SMILES CN(C)CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:14.15.20:12,16:15:12:17.19.18|
Show InChI InChI=1S/C33H39NO12S/c1-15(35)40-14-24-28(42-17(3)37)29(43-18(4)38)30(44-19(5)39)32(45-24)47-25-10-8-21-22-13-20-7-9-23(41-16(2)36)27-26(20)33(21,31(25)46-27)11-12-34(22)6/h7-10,21-22,24-25,28-32H,11-14H2,1-6H3/t21-,22+,24?,25?,28?,29?,30?,31-,32?,33-/m0/s1
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501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156093
PNG
(CHEMBL3781965)
Show SMILES CC(C)c1cc2c(cc1F)n(CCN(C)C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:28:27:30:24.23.22,28:23:30:27.29.26,THB:26:27:24.25.30:22,26:25:22:27.29.28|
Show InChI InChI=1S/C27H36FN3O2/c1-16(2)20-10-21-24(11-23(20)28)31(6-5-30(3)4)15-22(25(21)32)26(33)29-27-12-17-7-18(13-27)9-19(8-17)14-27/h10-11,15-19H,5-9,12-14H2,1-4H3,(H,29,33)
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717n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


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



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156096
PNG
(CHEMBL3781481)
Show SMILES OCCCCn1c2ccccc2c(O)c(C(=O)NCC2CCCCC2)c1=O
Show InChI InChI=1S/C21H28N2O4/c24-13-7-6-12-23-17-11-5-4-10-16(17)19(25)18(21(23)27)20(26)22-14-15-8-2-1-3-9-15/h4-5,10-11,15,24-25H,1-3,6-9,12-14H2,(H,22,26)
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829n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272388
PNG
(6-Isopropyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
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1.22E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
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1.28E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156097
PNG
(CHEMBL3781991)
Show SMILES OCCCCn1c2ccc(cc2c(O)c(C(=O)NCc2ccc(F)cc2)c1=O)-c1ccco1
Show InChI InChI=1S/C25H23FN2O5/c26-18-8-5-16(6-9-18)15-27-24(31)22-23(30)19-14-17(21-4-3-13-33-21)7-10-20(19)28(25(22)32)11-1-2-12-29/h3-10,13-14,29-30H,1-2,11-12,15H2,(H,27,31)
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156030
PNG
(CHEMBL3781729)
Show SMILES Fc1ccc2c(c1)n(CCN1CCS(=O)(=O)CC1)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:30:29:32:26.25.24,30:25:32:29.31.28,THB:28:29:26.27.32:24,28:27:24:29.31.30|
Show InChI InChI=1S/C32H37NO12S/c1-14(34)40-21-9-7-18-13-20-19-8-10-22(29-32(19,11-12-33(20)5)23(18)24(21)44-29)46-31-28(43-17(4)37)26(42-16(3)36)25(41-15(2)35)27(45-31)30(38)39-6/h7-10,19-20,22,25-29,31H,11-13H2,1-6H3/t19-,20+,22?,25?,26?,27?,28?,29-,31?,32-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156027
PNG
(CHEMBL3781330)
Show SMILES CC(C)c1ccc2n(CCN3CCS(=O)(=O)CC3)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:30:29:32:26.25.24,30:25:32:29.31.28,THB:28:29:26.27.32:24,28:27:24:29.31.30|
Show InChI InChI=1S/C30H35NO11S/c1-13(32)38-23-24(39-14(2)33)26(40-15(3)34)29(42-25(23)28(35)36)43-20-9-7-17-18-12-16-6-8-19(37-5)22-21(16)30(17,27(20)41-22)10-11-31(18)4/h6-9,17-18,20,23-27,29H,10-12H2,1-5H3,(H,35,36)/t17-,18+,20?,23?,24?,25?,26?,27-,29?,30-/m0/s1
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1.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156098
PNG
(CHEMBL3781848)
Show SMILES COc1ccc(CNC(=O)c2c(O)c3cc(ccc3n(CCCCO)c2=O)-c2cccs2)cc1
Show InChI InChI=1S/C26H26N2O5S/c1-33-19-9-6-17(7-10-19)16-27-25(31)23-24(30)20-15-18(22-5-4-14-34-22)8-11-21(20)28(26(23)32)12-2-3-13-29/h4-11,14-15,29-30H,2-3,12-13,16H2,1H3,(H,27,31)
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2.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

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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>2.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156095
PNG
(CHEMBL3781896)
Show SMILES CCCCCn1c2cc(F)c(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C28H37FN2O3/c1-4-5-6-7-31-23-12-22(29)20(16(2)3)11-21(23)25(32)24(27(31)34)26(33)30-28-13-17-8-18(14-28)10-19(9-17)15-28/h11-12,16-19,32H,4-10,13-15H2,1-3H3,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156026
PNG
(CHEMBL3781594)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:15.16.21:13,17:16:13:18.20.19|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)38-13-22-26(39-15(2)34)27(40-16(3)35)28(41-17(4)36)30(42-22)44-23-9-7-19-20-12-18-6-8-21(37)25-24(18)31(19,29(23)43-25)10-11-32(20)5/h6-9,19-20,22-23,26-30,37H,10-13H2,1-5H3/t19-,20+,22?,23?,26?,27?,28?,29-,30?,31-/m0/s1
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156094
PNG
(CHEMBL3782042)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)c(F)cc12 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:14.15.20:12,16:15:12:17.19.18|
Show InChI InChI=1S/C28H37FN2O2/c1-4-5-6-7-31-16-23(26(32)22-11-21(17(2)3)24(29)12-25(22)31)27(33)30-28-13-18-8-19(14-28)10-20(9-18)15-28/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,30,33)
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156098
PNG
(CHEMBL3781848)
Show SMILES COc1ccc(CNC(=O)c2c(O)c3cc(ccc3n(CCCCO)c2=O)-c2cccs2)cc1
Show InChI InChI=1S/C26H26N2O5S/c1-33-19-9-6-17(7-10-19)16-27-25(31)23-24(30)20-15-18(22-5-4-14-34-22)8-11-21(20)28(26(23)32)12-2-3-13-29/h4-11,14-15,29-30H,2-3,12-13,16H2,1H3,(H,27,31)
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272510
PNG
(CHEMBL523577 | N-(Adamant-1-yl)-4-oxo-1-pentyl-6-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156025
PNG
(CHEMBL3781216)
Show SMILES CC(C)c1ccc2n(CCN(C)C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C27H37N3O2/c1-17(2)21-5-6-24-22(12-21)25(31)23(16-30(24)8-7-29(3)4)26(32)28-27-13-18-9-19(14-27)11-20(10-18)15-27/h5-6,12,16-20H,7-11,13-15H2,1-4H3,(H,28,32)
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156027
PNG
(CHEMBL3781330)
Show SMILES CC(C)c1ccc2n(CCN3CCS(=O)(=O)CC3)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:30:29:32:26.25.24,30:25:32:29.31.28,THB:28:29:26.27.32:24,28:27:24:29.31.30|
Show InChI InChI=1S/C30H35NO11S/c1-13(32)38-23-24(39-14(2)33)26(40-15(3)34)29(42-25(23)28(35)36)43-20-9-7-17-18-12-16-6-8-19(37-5)22-21(16)30(17,27(20)41-22)10-11-31(18)4/h6-9,17-18,20,23-27,29H,10-12H2,1-5H3,(H,35,36)/t17-,18+,20?,23?,24?,25?,26?,27-,29?,30-/m0/s1
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156029
PNG
(CHEMBL3779996)
Show SMILES COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:15.16.21:13,17:16:13:18.20.19|
Show InChI InChI=1S/C29H35NO10S/c1-13(32)36-24-20(12-31)39-28(26(38-15(3)34)25(24)37-14(2)33)41-21-8-6-17-18-11-16-5-7-19(35)23-22(16)29(17,27(21)40-23)9-10-30(18)4/h5-8,17-18,20-21,24-28,31,35H,9-12H2,1-4H3/t17-,18+,20?,21?,24?,25?,26?,27-,28?,29-/m0/s1
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Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


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


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by lumine...


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by lumine...


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human CB2 receptor expressed in CHO-K1 cells assessed as increase in NHK477-induced cAMP production by lumine...


J Med Chem 59: 1052-67 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%