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PubMed code 23466226

Compile data set for download or QSAR
Found 26 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))
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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0.300n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432198
PNG
(CHEMBL240913)
Show SMILES Fc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(2.73,-28.57,;1.19,-28.57,;.42,-29.91,;-1.12,-29.91,;-1.88,-28.57,;-3.42,-28.57,;-4.19,-27.24,;-3.28,-25.98,;-4.19,-24.73,;-3.43,-23.39,;-1.89,-23.38,;-.56,-24.38,;-.42,-25.88,;.65,-24.95,;.5,-23.47,;1.96,-22.72,;1.22,-23.66,;-.79,-22.52,;-.81,-20.98,;-5.67,-25.21,;-7,-24.44,;-8.33,-25.22,;-8.33,-26.76,;-7,-27.53,;-5.67,-26.76,;-1.12,-27.24,;.41,-27.23,)|
Show InChI InChI=1S/C23H21FN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2
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1.30n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
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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1.90n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432193
PNG
(CHEMBL2346979)
Show SMILES COC(=O)c1ccc2c(C=C3N4CCC(CC4)C3=O)cn(Cc3ccccc3)c2c1 |w:9.8,(7.91,-37.06,;9.24,-36.29,;10.58,-37.05,;10.57,-38.6,;11.91,-36.28,;11.91,-34.74,;13.24,-33.97,;14.58,-34.73,;16.04,-34.26,;16.52,-32.79,;18.02,-32.47,;19.05,-33.63,;20.55,-33.31,;21.04,-31.85,;20.01,-30.7,;19.95,-31.93,;19.13,-32,;18.49,-31.02,;17.47,-29.87,;16.95,-35.5,;16.04,-36.75,;16.77,-38.11,;15.95,-39.42,;14.41,-39.36,;13.6,-40.66,;14.32,-42.02,;15.86,-42.07,;16.67,-40.77,;14.58,-36.28,;13.24,-37.06,)|
Show InChI InChI=1S/C25H24N2O3/c1-30-25(29)19-7-8-21-20(14-23-24(28)18-9-11-26(23)12-10-18)16-27(22(21)13-19)15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3
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2.5n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432198
PNG
(CHEMBL240913)
Show SMILES Fc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(2.73,-28.57,;1.19,-28.57,;.42,-29.91,;-1.12,-29.91,;-1.88,-28.57,;-3.42,-28.57,;-4.19,-27.24,;-3.28,-25.98,;-4.19,-24.73,;-3.43,-23.39,;-1.89,-23.38,;-.56,-24.38,;-.42,-25.88,;.65,-24.95,;.5,-23.47,;1.96,-22.72,;1.22,-23.66,;-.79,-22.52,;-.81,-20.98,;-5.67,-25.21,;-7,-24.44,;-8.33,-25.22,;-8.33,-26.76,;-7,-27.53,;-5.67,-26.76,;-1.12,-27.24,;.41,-27.23,)|
Show InChI InChI=1S/C23H21FN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2
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9.20n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432199
PNG
(CHEMBL238082)
Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccccc2)c2ccccc12 |w:9.11,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(2.62,3.15,;2.64,1.61,;3.93,.66,;4.08,-.81,;3.01,-1.74,;2.87,-.24,;4.65,.48,;5.39,1.42,;1.54,.76,;,.75,;-.76,-.59,;.15,-1.85,;-.76,-3.1,;.01,-4.44,;1.55,-4.44,;2.31,-5.77,;3.85,-5.77,;4.62,-4.44,;3.84,-3.1,;2.31,-3.11,;-2.24,-2.63,;-3.57,-3.4,;-4.9,-2.63,;-4.9,-1.08,;-3.57,-.31,;-2.24,-1.07,)|
Show InChI InChI=1S/C23H22N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18H,10-13,15H2
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12n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432197
PNG
(CHEMBL240697)
Show SMILES Clc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(31.86,-14.11,;30.32,-14.11,;29.55,-15.45,;28.01,-15.45,;27.25,-14.11,;25.71,-14.11,;24.94,-12.78,;25.85,-11.53,;24.94,-10.27,;25.7,-8.93,;27.24,-8.92,;28.58,-9.92,;28.71,-11.42,;29.78,-10.49,;29.63,-9.01,;31.09,-8.26,;30.35,-9.2,;28.34,-8.06,;28.32,-6.52,;23.46,-10.75,;22.13,-9.99,;20.8,-10.76,;20.79,-12.3,;22.13,-13.07,;23.46,-12.3,;28.01,-12.78,;29.54,-12.78,)|
Show InChI InChI=1S/C23H21ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2
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20n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432197
PNG
(CHEMBL240697)
Show SMILES Clc1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:9.8,TLB:9:10:12.13:16.15,THB:18:17:12.13:16.15,(31.86,-14.11,;30.32,-14.11,;29.55,-15.45,;28.01,-15.45,;27.25,-14.11,;25.71,-14.11,;24.94,-12.78,;25.85,-11.53,;24.94,-10.27,;25.7,-8.93,;27.24,-8.92,;28.58,-9.92,;28.71,-11.42,;29.78,-10.49,;29.63,-9.01,;31.09,-8.26,;30.35,-9.2,;28.34,-8.06,;28.32,-6.52,;23.46,-10.75,;22.13,-9.99,;20.8,-10.76,;20.79,-12.3,;22.13,-13.07,;23.46,-12.3,;28.01,-12.78,;29.54,-12.78,)|
Show InChI InChI=1S/C23H21ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17H,9-12,14H2
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32n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432195
PNG
(CHEMBL2346977)
Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:9.11,(38.64,-12.97,;39.67,-14.11,;41.18,-13.8,;42.21,-14.95,;41.73,-16.41,;40.23,-16.73,;40.31,-15.09,;41.13,-15.03,;39.2,-15.57,;37.69,-15.89,;37.22,-17.35,;38.12,-18.6,;37.22,-19.85,;37.94,-21.21,;37.12,-22.51,;35.59,-22.46,;34.77,-23.76,;35.49,-25.12,;37.04,-25.17,;37.85,-23.87,;34.68,-26.43,;33.87,-27.74,;35.75,-19.37,;34.42,-20.15,;33.08,-19.38,;33.09,-17.84,;34.41,-17.07,;35.75,-17.83,)|
Show InChI InChI=1S/C24H21N3O/c25-14-17-5-7-18(8-6-17)15-27-16-20(21-3-1-2-4-22(21)27)13-23-24(28)19-9-11-26(23)12-10-19/h1-8,13,16,19H,9-12,15H2
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55n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432192
PNG
(CHEMBL238083)
Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccccc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(21.73,3.91,;21.75,2.37,;23.04,1.42,;23.19,-.06,;22.12,-.99,;21.98,.51,;23.76,1.23,;24.5,2.17,;20.65,1.51,;19.11,1.5,;18.35,.16,;19.26,-1.09,;18.35,-2.35,;19.12,-3.68,;20.66,-3.68,;21.42,-5.02,;22.96,-5.02,;23.73,-3.68,;22.95,-2.34,;21.42,-2.35,;16.87,-1.87,;15.54,-2.64,;14.21,-1.87,;14.21,-.33,;15.54,.44,;16.87,-.32,)|
Show InChI InChI=1S/C23H24N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18,23,26H,10-13,15H2/b22-14-
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55n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432190
PNG
(CHEMBL2346980)
Show SMILES O=NC1=C(Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 |c:2,(8.5,-43.98,;8.03,-45.44,;9.05,-46.59,;8.58,-48.04,;7.08,-48.36,;6.6,-49.83,;7.51,-51.07,;6.6,-52.32,;7.33,-53.68,;6.51,-54.98,;4.97,-54.93,;4.16,-56.23,;4.88,-57.59,;6.42,-57.64,;7.23,-56.34,;5.14,-51.85,;3.8,-52.62,;2.47,-51.85,;2.47,-50.31,;3.8,-49.54,;5.14,-50.3,;9.61,-49.2,;11.11,-48.88,;11.6,-47.42,;10.57,-46.27,;10.51,-47.5,;9.69,-47.57,)|
Show InChI InChI=1S/C23H23N3O/c27-24-23-18-10-12-25(13-11-18)22(23)14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,16,18H,10-15H2
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69n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432191
PNG
(CHEMBL391430)
Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(28.32,-6.52,;28.34,-8.06,;29.63,-9.01,;29.78,-10.49,;28.71,-11.42,;28.58,-9.92,;30.35,-9.2,;31.09,-8.26,;27.24,-8.92,;25.7,-8.93,;24.94,-10.27,;25.85,-11.53,;24.94,-12.78,;25.71,-14.11,;27.25,-14.11,;28.01,-15.45,;29.55,-15.45,;30.32,-14.11,;31.86,-14.11,;29.54,-12.78,;28.01,-12.78,;23.46,-12.3,;22.13,-13.07,;20.79,-12.3,;20.8,-10.76,;22.13,-9.99,;23.46,-10.75,)|
Show InChI InChI=1S/C23H23ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17,23,27H,9-12,14H2/b22-13-
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85n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432193
PNG
(CHEMBL2346979)
Show SMILES COC(=O)c1ccc2c(C=C3N4CCC(CC4)C3=O)cn(Cc3ccccc3)c2c1 |w:9.8,(7.91,-37.06,;9.24,-36.29,;10.58,-37.05,;10.57,-38.6,;11.91,-36.28,;11.91,-34.74,;13.24,-33.97,;14.58,-34.73,;16.04,-34.26,;16.52,-32.79,;18.02,-32.47,;19.05,-33.63,;20.55,-33.31,;21.04,-31.85,;20.01,-30.7,;19.95,-31.93,;19.13,-32,;18.49,-31.02,;17.47,-29.87,;16.95,-35.5,;16.04,-36.75,;16.77,-38.11,;15.95,-39.42,;14.41,-39.36,;13.6,-40.66,;14.32,-42.02,;15.86,-42.07,;16.67,-40.77,;14.58,-36.28,;13.24,-37.06,)|
Show InChI InChI=1S/C25H24N2O3/c1-30-25(29)19-7-8-21-20(14-23-24(28)18-9-11-26(23)12-10-18)16-27(22(21)13-19)15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3
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86n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432189
PNG
(CHEMBL2346981)
Show SMILES Clc1ccc(Cn2cc(CC3=C(N=O)C4CCN3CC4)c3ccccc23)cc1 |c:10,(14.54,-59.36,;15.36,-58.05,;14.64,-56.69,;15.45,-55.39,;16.99,-55.44,;17.81,-54.14,;17.08,-52.78,;17.99,-51.53,;17.08,-50.29,;17.56,-48.82,;19.06,-48.5,;19.53,-47.05,;18.51,-45.9,;18.98,-44.44,;21.05,-46.73,;22.08,-47.88,;21.59,-49.34,;20.09,-49.66,;20.17,-48.02,;20.99,-47.96,;15.62,-50.76,;14.28,-50,;12.95,-50.77,;12.95,-52.31,;14.28,-53.08,;15.62,-52.3,;17.71,-56.8,;16.9,-58.1,)|
Show InChI InChI=1S/C23H22ClN3O/c24-19-7-5-16(6-8-19)14-27-15-18(20-3-1-2-4-21(20)27)13-22-23(25-28)17-9-11-26(22)12-10-17/h1-8,15,17H,9-14H2
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96n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432189
PNG
(CHEMBL2346981)
Show SMILES Clc1ccc(Cn2cc(CC3=C(N=O)C4CCN3CC4)c3ccccc23)cc1 |c:10,(14.54,-59.36,;15.36,-58.05,;14.64,-56.69,;15.45,-55.39,;16.99,-55.44,;17.81,-54.14,;17.08,-52.78,;17.99,-51.53,;17.08,-50.29,;17.56,-48.82,;19.06,-48.5,;19.53,-47.05,;18.51,-45.9,;18.98,-44.44,;21.05,-46.73,;22.08,-47.88,;21.59,-49.34,;20.09,-49.66,;20.17,-48.02,;20.99,-47.96,;15.62,-50.76,;14.28,-50,;12.95,-50.77,;12.95,-52.31,;14.28,-53.08,;15.62,-52.3,;17.71,-56.8,;16.9,-58.1,)|
Show InChI InChI=1S/C23H22ClN3O/c24-19-7-5-16(6-8-19)14-27-15-18(20-3-1-2-4-21(20)27)13-22-23(25-28)17-9-11-26(22)12-10-17/h1-8,15,17H,9-14H2
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107n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432191
PNG
(CHEMBL391430)
Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(28.32,-6.52,;28.34,-8.06,;29.63,-9.01,;29.78,-10.49,;28.71,-11.42,;28.58,-9.92,;30.35,-9.2,;31.09,-8.26,;27.24,-8.92,;25.7,-8.93,;24.94,-10.27,;25.85,-11.53,;24.94,-12.78,;25.71,-14.11,;27.25,-14.11,;28.01,-15.45,;29.55,-15.45,;30.32,-14.11,;31.86,-14.11,;29.54,-12.78,;28.01,-12.78,;23.46,-12.3,;22.13,-13.07,;20.79,-12.3,;20.8,-10.76,;22.13,-9.99,;23.46,-10.75,)|
Show InChI InChI=1S/C23H23ClN2O/c24-19-7-5-16(6-8-19)14-26-15-18(20-3-1-2-4-21(20)26)13-22-23(27)17-9-11-25(22)12-10-17/h1-8,13,15,17,23,27H,9-12,14H2/b22-13-
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113n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432195
PNG
(CHEMBL2346977)
Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccc(cc2)C#N)c2ccccc12 |w:9.11,(38.64,-12.97,;39.67,-14.11,;41.18,-13.8,;42.21,-14.95,;41.73,-16.41,;40.23,-16.73,;40.31,-15.09,;41.13,-15.03,;39.2,-15.57,;37.69,-15.89,;37.22,-17.35,;38.12,-18.6,;37.22,-19.85,;37.94,-21.21,;37.12,-22.51,;35.59,-22.46,;34.77,-23.76,;35.49,-25.12,;37.04,-25.17,;37.85,-23.87,;34.68,-26.43,;33.87,-27.74,;35.75,-19.37,;34.42,-20.15,;33.08,-19.38,;33.09,-17.84,;34.41,-17.07,;35.75,-17.83,)|
Show InChI InChI=1S/C24H21N3O/c25-14-17-5-7-18(8-6-17)15-27-16-20(21-3-1-2-4-22(21)27)13-23-24(28)19-9-11-26(23)12-10-19/h1-8,13,16,19H,9-12,15H2
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114n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432199
PNG
(CHEMBL238082)
Show SMILES O=C1C2CCN(CC2)C1=Cc1cn(Cc2ccccc2)c2ccccc12 |w:9.11,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(2.62,3.15,;2.64,1.61,;3.93,.66,;4.08,-.81,;3.01,-1.74,;2.87,-.24,;4.65,.48,;5.39,1.42,;1.54,.76,;,.75,;-.76,-.59,;.15,-1.85,;-.76,-3.1,;.01,-4.44,;1.55,-4.44,;2.31,-5.77,;3.85,-5.77,;4.62,-4.44,;3.84,-3.1,;2.31,-3.11,;-2.24,-2.63,;-3.57,-3.4,;-4.9,-2.63,;-4.9,-1.08,;-3.57,-.31,;-2.24,-1.07,)|
Show InChI InChI=1S/C23H22N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18H,10-13,15H2
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135n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432196
PNG
(CHEMBL2346668)
Show SMILES Brc1ccccc1Cn1cc(C=C2N3CCC(CC3)C2=O)c2ccccc12 |w:11.11,(29.07,-25.6,;27.53,-25.55,;26.72,-26.85,;25.18,-26.81,;24.46,-25.44,;25.27,-24.14,;26.81,-24.2,;27.63,-22.89,;26.9,-21.53,;27.81,-20.29,;26.9,-19.04,;27.38,-17.57,;28.88,-17.25,;29.91,-18.41,;31.41,-18.09,;31.89,-16.63,;30.87,-15.48,;30.81,-16.72,;29.99,-16.78,;29.35,-15.8,;28.33,-14.65,;25.44,-19.52,;24.1,-18.75,;22.77,-19.52,;22.77,-21.07,;24.1,-21.84,;25.44,-21.06,)|
Show InChI InChI=1S/C23H21BrN2O/c24-20-7-3-1-5-17(20)14-26-15-18(19-6-2-4-8-21(19)26)13-22-23(27)16-9-11-25(22)12-10-16/h1-8,13,15-16H,9-12,14H2
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333n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432190
PNG
(CHEMBL2346980)
Show SMILES O=NC1=C(Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 |c:2,(8.5,-43.98,;8.03,-45.44,;9.05,-46.59,;8.58,-48.04,;7.08,-48.36,;6.6,-49.83,;7.51,-51.07,;6.6,-52.32,;7.33,-53.68,;6.51,-54.98,;4.97,-54.93,;4.16,-56.23,;4.88,-57.59,;6.42,-57.64,;7.23,-56.34,;5.14,-51.85,;3.8,-52.62,;2.47,-51.85,;2.47,-50.31,;3.8,-49.54,;5.14,-50.3,;9.61,-49.2,;11.11,-48.88,;11.6,-47.42,;10.57,-46.27,;10.51,-47.5,;9.69,-47.57,)|
Show InChI InChI=1S/C23H23N3O/c27-24-23-18-10-12-25(13-11-18)22(23)14-19-16-26(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,16,18H,10-15H2
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357n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432192
PNG
(CHEMBL238083)
Show SMILES OC1C2CCN(CC2)\C1=C/c1cn(Cc2ccccc2)c2ccccc12 |TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(21.73,3.91,;21.75,2.37,;23.04,1.42,;23.19,-.06,;22.12,-.99,;21.98,.51,;23.76,1.23,;24.5,2.17,;20.65,1.51,;19.11,1.5,;18.35,.16,;19.26,-1.09,;18.35,-2.35,;19.12,-3.68,;20.66,-3.68,;21.42,-5.02,;22.96,-5.02,;23.73,-3.68,;22.95,-2.34,;21.42,-2.35,;16.87,-1.87,;15.54,-2.64,;14.21,-1.87,;14.21,-.33,;15.54,.44,;16.87,-.32,)|
Show InChI InChI=1S/C23H24N2O/c26-23-18-10-12-24(13-11-18)22(23)14-19-16-25(15-17-6-2-1-3-7-17)21-9-5-4-8-20(19)21/h1-9,14,16,18,23,26H,10-13,15H2/b22-14-
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540n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50432194
PNG
(CHEMBL2346978)
Show SMILES COC(=O)c1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:12.11,(1.09,-40.87,;1.81,-42.23,;3.35,-42.28,;4.08,-43.64,;4.17,-40.97,;3.45,-39.61,;4.26,-38.31,;5.8,-38.36,;6.62,-37.06,;5.9,-35.7,;6.8,-34.45,;5.89,-33.2,;6.37,-31.74,;7.88,-31.42,;8.9,-32.58,;10.4,-32.26,;10.89,-30.8,;9.86,-29.65,;9.81,-30.88,;8.98,-30.94,;8.35,-29.96,;7.32,-28.82,;4.43,-33.68,;3.09,-32.92,;1.76,-33.69,;1.76,-35.23,;3.1,-36,;4.43,-35.22,;6.53,-39.71,;5.72,-41.02,)|
Show InChI InChI=1S/C25H24N2O3/c1-30-25(29)19-8-6-17(7-9-19)15-27-16-20(21-4-2-3-5-22(21)27)14-23-24(28)18-10-12-26(23)13-11-18/h2-9,14,16,18H,10-13,15H2,1H3
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588n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor expressed in CHO cells after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432196
PNG
(CHEMBL2346668)
Show SMILES Brc1ccccc1Cn1cc(C=C2N3CCC(CC3)C2=O)c2ccccc12 |w:11.11,(29.07,-25.6,;27.53,-25.55,;26.72,-26.85,;25.18,-26.81,;24.46,-25.44,;25.27,-24.14,;26.81,-24.2,;27.63,-22.89,;26.9,-21.53,;27.81,-20.29,;26.9,-19.04,;27.38,-17.57,;28.88,-17.25,;29.91,-18.41,;31.41,-18.09,;31.89,-16.63,;30.87,-15.48,;30.81,-16.72,;29.99,-16.78,;29.35,-15.8,;28.33,-14.65,;25.44,-19.52,;24.1,-18.75,;22.77,-19.52,;22.77,-21.07,;24.1,-21.84,;25.44,-21.06,)|
Show InChI InChI=1S/C23H21BrN2O/c24-20-7-3-1-5-17(20)14-26-15-18(19-6-2-4-8-21(19)26)13-22-23(27)16-9-11-25(22)12-10-16/h1-8,13,15-16H,9-12,14H2
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629n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50432194
PNG
(CHEMBL2346978)
Show SMILES COC(=O)c1ccc(Cn2cc(C=C3N4CCC(CC4)C3=O)c3ccccc23)cc1 |w:12.11,(1.09,-40.87,;1.81,-42.23,;3.35,-42.28,;4.08,-43.64,;4.17,-40.97,;3.45,-39.61,;4.26,-38.31,;5.8,-38.36,;6.62,-37.06,;5.9,-35.7,;6.8,-34.45,;5.89,-33.2,;6.37,-31.74,;7.88,-31.42,;8.9,-32.58,;10.4,-32.26,;10.89,-30.8,;9.86,-29.65,;9.81,-30.88,;8.98,-30.94,;8.35,-29.96,;7.32,-28.82,;4.43,-33.68,;3.09,-32.92,;1.76,-33.69,;1.76,-35.23,;3.1,-36,;4.43,-35.22,;6.53,-39.71,;5.72,-41.02,)|
Show InChI InChI=1S/C25H24N2O3/c1-30-25(29)19-8-6-17(7-9-19)15-27-16-20(21-4-2-3-5-22(21)27)14-23-24(28)18-10-12-26(23)13-11-18/h2-9,14,16,18H,10-13,15H2,1H3
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953n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 23: 2019-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.025
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%