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PubMed code 19646869

Compile data set for download or QSAR
Found 54 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))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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2.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301315
PNG
(CHEMBL568467 | N-(3,4-dimethyl-5-(morpholinomethyl...)
Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C
Show InChI InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27)
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2.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277153
PNG
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2R,4R)-1,3,...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20+,22+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301316
PNG
(CHEMBL568468 | N-(3,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(C)c(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24)
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8.60n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301312
PNG
(3,3-difluoro-2-methyl-N-(4-methyl-3-(morpholinomet...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1
Show InChI InChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26)
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16n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301306
PNG
(2-methyl-N-(4-methyl-3-(morpholinomethyl)-5-(trifl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27)
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301317
PNG
(4-methyl-3-(morpholinomethyl)-N-((1S,4R)-1,3,3-tri...)
Show SMILES Cc1ccc(cc1CN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-5-6-17(13-18(16)15-25-9-11-27-12-10-25)20(26)24-21-22(2,3)19-7-8-23(21,4)14-19/h5-6,13,19,21H,7-12,14-15H2,1-4H3,(H,24,26)/t19-,21?,23+/m1/s1
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19n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301307
PNG
(CHEMBL577487 | N-(2-fluoro-4-methyl-5-(morpholinom...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
Show InChI InChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24)
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37n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301318
PNG
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)
Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1
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45n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301319
PNG
(4-methyl-3-(3-morpholinopropyl)-N-((1S,4R)-1,3,3-t...)
Show SMILES Cc1ccc(cc1CCCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C25H38N2O2/c1-18-7-8-20(16-19(18)6-5-11-27-12-14-29-15-13-27)22(28)26-23-24(2,3)21-9-10-25(23,4)17-21/h7-8,16,21,23H,5-6,9-15,17H2,1-4H3,(H,26,28)/t21-,23?,25+/m1/s1
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62n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301313
PNG
(2-methyl-N-(4-methyl-3-(morpholinomethyl)phenyl)cy...)
Show SMILES CC1CCCCC1C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C20H30N2O2/c1-15-7-8-18(13-17(15)14-22-9-11-24-12-10-22)21-20(23)19-6-4-3-5-16(19)2/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3,(H,21,23)
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70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301321
PNG
(4-methyl-3-(3-morpholino-3-oxopropyl)-N-((1S,4R)-1...)
Show SMILES Cc1ccc(cc1CCC(=O)N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C25H36N2O3/c1-17-5-6-19(15-18(17)7-8-21(28)27-11-13-30-14-12-27)22(29)26-23-24(2,3)20-9-10-25(23,4)16-20/h5-6,15,20,23H,7-14,16H2,1-4H3,(H,26,29)/t20-,23?,25+/m1/s1
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83n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301306
PNG
(2-methyl-N-(4-methyl-3-(morpholinomethyl)-5-(trifl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27)
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110n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301308
PNG
(CHEMBL567795 | N-(2-fluoro-4-methyl-5-(morpholinom...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
Show InChI InChI=1S/C18H27FN2O2/c1-5-18(3,4)17(22)20-16-11-14(13(2)10-15(16)19)12-21-6-8-23-9-7-21/h10-11H,5-9,12H2,1-4H3,(H,20,22)
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301314
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinomethyl)pheny...)
Show SMILES CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C18H28N2O2/c1-5-18(3,4)17(21)19-16-7-6-14(2)15(12-16)13-20-8-10-22-11-9-20/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,21)
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277153
PNG
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2R,4R)-1,3,...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20+,22+/m1/s1
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130n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301320
PNG
(4-methyl-3-morpholino-N-((1S,4R)-1,3,3-trimethylbi...)
Show SMILES Cc1ccc(cc1N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C22H32N2O2/c1-15-5-6-16(13-18(15)24-9-11-26-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20?,22+/m1/s1
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300n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301309
PNG
(CHEMBL565515 | N-(2,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)cc1C
Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-19(15)21(24)22-20-13-18(16(2)12-17(20)3)14-23-8-10-25-11-9-23/h12-13,15,19H,4-11,14H2,1-3H3,(H,22,24)
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440n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301315
PNG
(CHEMBL568467 | N-(3,4-dimethyl-5-(morpholinomethyl...)
Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C
Show InChI InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27)
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500n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301310
PNG
(CHEMBL567924 | N-(2,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1C
Show InChI InChI=1S/C19H30N2O2/c1-6-19(4,5)18(22)20-17-12-16(14(2)11-15(17)3)13-21-7-9-23-10-8-21/h11-12H,6-10,13H2,1-5H3,(H,20,22)
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530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301316
PNG
(CHEMBL568468 | N-(3,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(C)c(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24)
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540n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301322
PNG
(4-methyl-3-(2-morpholino-2-oxoethyl)-N-(1,3,3-trim...)
Show SMILES Cc1ccc(cc1CC(=O)N1CCOCC1)C(=O)NC1C2(C)CCC(C2)C1(C)C
Show InChI InChI=1S/C24H34N2O3/c1-16-5-6-17(13-18(16)14-20(27)26-9-11-29-12-10-26)21(28)25-22-23(2,3)19-7-8-24(22,4)15-19/h5-6,13,19,22H,7-12,14-15H2,1-4H3,(H,25,28)
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700n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301317
PNG
(4-methyl-3-(morpholinomethyl)-N-((1S,4R)-1,3,3-tri...)
Show SMILES Cc1ccc(cc1CN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-5-6-17(13-18(16)15-25-9-11-27-12-10-25)20(26)24-21-22(2,3)19-7-8-23(21,4)14-19/h5-6,13,19,21H,7-12,14-15H2,1-4H3,(H,24,26)/t19-,21?,23+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301323
PNG
(4-methyl-3-(morpholine-4-carbonyl)-N-((1S,4R)-1,3,...)
Show SMILES Cc1ccc(cc1C(=O)N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C23H32N2O3/c1-15-5-6-16(13-18(15)20(27)25-9-11-28-12-10-25)19(26)24-21-22(2,3)17-7-8-23(21,4)14-17/h5-6,13,17,21H,7-12,14H2,1-4H3,(H,24,26)/t17-,21?,23+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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1.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301318
PNG
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)
Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301313
PNG
(2-methyl-N-(4-methyl-3-(morpholinomethyl)phenyl)cy...)
Show SMILES CC1CCCCC1C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C20H30N2O2/c1-15-7-8-18(13-17(15)14-22-9-11-24-12-10-22)21-20(23)19-6-4-3-5-16(19)2/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3,(H,21,23)
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1.60E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301321
PNG
(4-methyl-3-(3-morpholino-3-oxopropyl)-N-((1S,4R)-1...)
Show SMILES Cc1ccc(cc1CCC(=O)N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C25H36N2O3/c1-17-5-6-19(15-18(17)7-8-21(28)27-11-13-30-14-12-27)22(29)26-23-24(2,3)20-9-10-25(23,4)16-20/h5-6,15,20,23H,7-14,16H2,1-4H3,(H,26,29)/t20-,23?,25+/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301319
PNG
(4-methyl-3-(3-morpholinopropyl)-N-((1S,4R)-1,3,3-t...)
Show SMILES Cc1ccc(cc1CCCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C25H38N2O2/c1-18-7-8-20(16-19(18)6-5-11-27-12-14-29-15-13-27)22(28)26-23-24(2,3)21-9-10-25(23,4)17-21/h7-8,16,21,23H,5-6,9-15,17H2,1-4H3,(H,26,28)/t21-,23?,25+/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301322
PNG
(4-methyl-3-(2-morpholino-2-oxoethyl)-N-(1,3,3-trim...)
Show SMILES Cc1ccc(cc1CC(=O)N1CCOCC1)C(=O)NC1C2(C)CCC(C2)C1(C)C
Show InChI InChI=1S/C24H34N2O3/c1-16-5-6-17(13-18(16)14-20(27)26-9-11-29-12-10-26)21(28)25-22-23(2,3)19-7-8-24(22,4)15-19/h5-6,13,19,22H,7-12,14-15H2,1-4H3,(H,25,28)
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3.90E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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>5.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301323
PNG
(4-methyl-3-(morpholine-4-carbonyl)-N-((1S,4R)-1,3,...)
Show SMILES Cc1ccc(cc1C(=O)N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C23H32N2O3/c1-15-5-6-16(13-18(15)20(27)25-9-11-28-12-10-25)19(26)24-21-22(2,3)17-7-8-23(21,4)14-17/h5-6,13,17,21H,7-12,14H2,1-4H3,(H,24,26)/t17-,21?,23+/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301312
PNG
(3,3-difluoro-2-methyl-N-(4-methyl-3-(morpholinomet...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1
Show InChI InChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26)
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6.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301320
PNG
(4-methyl-3-morpholino-N-((1S,4R)-1,3,3-trimethylbi...)
Show SMILES Cc1ccc(cc1N1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C22H32N2O2/c1-15-5-6-16(13-18(15)24-9-11-26-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20?,22+/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301312
PNG
(3,3-difluoro-2-methyl-N-(4-methyl-3-(morpholinomet...)
Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1
Show InChI InChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26)
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n/an/an/an/a 14n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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n/an/an/an/a 41n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301309
PNG
(CHEMBL565515 | N-(2,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)cc1C
Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-19(15)21(24)22-20-13-18(16(2)12-17(20)3)14-23-8-10-25-11-9-23/h12-13,15,19H,4-11,14H2,1-3H3,(H,22,24)
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n/an/an/an/a 590n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301306
PNG
(2-methyl-N-(4-methyl-3-(morpholinomethyl)-5-(trifl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27)
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n/an/an/an/a 42n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301313
PNG
(2-methyl-N-(4-methyl-3-(morpholinomethyl)phenyl)cy...)
Show SMILES CC1CCCCC1C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C20H30N2O2/c1-15-7-8-18(13-17(15)14-22-9-11-24-12-10-22)21-20(23)19-6-4-3-5-16(19)2/h7-8,13,16,19H,3-6,9-12,14H2,1-2H3,(H,21,23)
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n/an/an/an/a 76n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301319
PNG
(4-methyl-3-(3-morpholinopropyl)-N-((1S,4R)-1,3,3-t...)
Show SMILES Cc1ccc(cc1CCCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C25H38N2O2/c1-18-7-8-20(16-19(18)6-5-11-27-12-14-29-15-13-27)22(28)26-23-24(2,3)21-9-10-25(23,4)17-21/h7-8,16,21,23H,5-6,9-15,17H2,1-4H3,(H,26,28)/t21-,23?,25+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301317
PNG
(4-methyl-3-(morpholinomethyl)-N-((1S,4R)-1,3,3-tri...)
Show SMILES Cc1ccc(cc1CN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-5-6-17(13-18(16)15-25-9-11-27-12-10-25)20(26)24-21-22(2,3)19-7-8-23(21,4)14-19/h5-6,13,19,21H,7-12,14-15H2,1-4H3,(H,24,26)/t19-,21?,23+/m1/s1
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n/an/an/an/a 42n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301316
PNG
(CHEMBL568468 | N-(3,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(C)c(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24)
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n/an/an/an/a 21n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301307
PNG
(CHEMBL577487 | N-(2-fluoro-4-methyl-5-(morpholinom...)
Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
Show InChI InChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24)
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n/an/an/an/a 49n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50277153
PNG
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2R,4R)-1,3,...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20+,22+/m1/s1
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n/an/an/an/a 6.60n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301315
PNG
(CHEMBL568467 | N-(3,4-dimethyl-5-(morpholinomethyl...)
Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C
Show InChI InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27)
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n/an/an/an/a 5.5n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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n/an/an/an/a 3.60n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301314
PNG
(2,2-dimethyl-N-(4-methyl-3-(morpholinomethyl)pheny...)
Show SMILES CCC(C)(C)C(=O)Nc1ccc(C)c(CN2CCOCC2)c1
Show InChI InChI=1S/C18H28N2O2/c1-5-18(3,4)17(21)19-16-7-6-14(2)15(12-16)13-20-8-10-22-11-9-20/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,21)
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n/an/an/an/a 110n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301311
PNG
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)
Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28)
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n/an/an/an/a 72n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301318
PNG
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)
Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1
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n/an/an/an/a 64n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301310
PNG
(CHEMBL567924 | N-(2,4-dimethyl-5-(morpholinomethyl...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1C
Show InChI InChI=1S/C19H30N2O2/c1-6-19(4,5)18(22)20-17-12-16(14(2)11-15(17)3)13-21-7-9-23-10-8-21/h11-12H,6-10,13H2,1-5H3,(H,20,22)
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n/an/an/an/a 500n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50301308
PNG
(CHEMBL567795 | N-(2-fluoro-4-methyl-5-(morpholinom...)
Show SMILES CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(C)cc1F
Show InChI InChI=1S/C18H27FN2O2/c1-5-18(3,4)17(22)20-16-11-14(13(2)10-15(16)19)12-21-6-8-23-9-7-21/h10-11H,5-9,12H2,1-4H3,(H,20,22)
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n/an/an/an/a 200n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5004-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.057
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%