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PubMed code 17107792

Compile data set for download or QSAR
Found 38 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 1


(Homo sapiens (Human))
BDBM50198507
PNG
(2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)|
Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198532
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(26.26,-34.21,;26.75,-35.67,;28.23,-36.14,;28.24,-37.69,;29.57,-38.46,;30.91,-37.69,;30.91,-36.14,;32.25,-35.37,;33.58,-36.16,;34.91,-35.39,;34.92,-33.85,;33.59,-33.08,;32.25,-33.84,;29.57,-35.36,;29.57,-33.82,;26.77,-38.17,;25.85,-36.93,;24.31,-36.94,;23.54,-35.62,;22,-35.63,;21.24,-36.97,;19.7,-36.98,;22.03,-38.3,;23.56,-38.28,;26.3,-39.64,;24.79,-39.96,;24.32,-41.43,;25.36,-42.57,;26.87,-42.23,;27.33,-40.77,;28.84,-40.43,)|
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(15-16-29(26(24)31)20-7-3-2-4-8-20)30(22-10-6-5-9-21(22)28)25(17)18-11-13-19(27)14-12-18/h5-6,9-14,20H,2-4,7-8,15-16H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198519
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198526
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24.84,-43.69,;25.32,-45.15,;26.8,-45.62,;26.81,-47.17,;28.14,-47.94,;29.49,-47.17,;29.49,-45.62,;30.82,-44.86,;32.15,-45.64,;33.48,-44.88,;33.49,-43.34,;32.16,-42.56,;30.82,-43.33,;28.14,-44.85,;28.14,-43.31,;25.34,-47.66,;24.42,-46.42,;22.88,-46.43,;22.11,-45.1,;20.57,-45.11,;19.81,-46.45,;20.6,-47.79,;22.14,-47.77,;18.27,-46.47,;16.73,-46.46,;18.28,-48.01,;18.27,-44.93,;24.87,-49.12,;23.36,-49.45,;22.9,-50.91,;23.93,-52.05,;23.47,-53.52,;25.44,-51.72,;25.91,-50.25,;27.41,-49.92,)|
Show InChI InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(13-14-33(26(24)35)20-5-3-2-4-6-20)34(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(30,31)32/h7-12,15,20H,2-6,13-14H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198529
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(17.67,-33.55,;18.45,-34.87,;19.99,-34.86,;20.78,-36.19,;22.31,-36.17,;23.06,-34.83,;22.29,-33.51,;20.75,-33.52,;19.97,-32.19,;20.73,-30.85,;24.6,-34.82,;25.5,-33.56,;25.02,-32.1,;26.98,-34.03,;26.99,-35.58,;28.32,-36.35,;29.66,-35.58,;29.66,-34.03,;31,-33.26,;32.33,-34.04,;33.66,-33.28,;33.67,-31.74,;32.34,-30.97,;31,-31.73,;28.32,-33.25,;28.32,-31.71,;25.52,-36.06,;25.05,-37.53,;23.54,-37.85,;23.08,-39.31,;24.11,-40.45,;23.65,-41.92,;25.62,-40.12,;26.08,-38.65,;27.59,-38.32,)|
Show InChI InChI=1S/C28H30Cl2N2O3/c1-17-26-23(13-14-31(28(26)33)20-7-5-4-6-8-20)32(22-11-10-19(29)16-21(22)30)27(17)18-9-12-24(34-2)25(15-18)35-3/h9-12,15-16,20H,4-8,13-14H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198525
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-fluorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(F)cc1)-c1ccc(Cl)cc1Cl |(24.41,-25.67,;24.9,-27.13,;26.37,-27.6,;26.38,-29.15,;27.72,-29.92,;29.06,-29.15,;29.06,-27.61,;30.39,-26.84,;31.73,-27.62,;33.06,-26.86,;33.07,-25.32,;31.73,-24.54,;30.39,-25.31,;27.72,-26.83,;27.72,-25.29,;24.91,-29.64,;24,-28.4,;22.46,-28.41,;21.68,-27.08,;20.14,-27.09,;19.38,-28.43,;17.84,-28.45,;20.17,-29.77,;21.71,-29.75,;24.44,-31.1,;22.94,-31.43,;22.47,-32.89,;23.51,-34.03,;23.04,-35.5,;25.02,-33.7,;25.48,-32.23,;26.98,-31.9,)|
Show InChI InChI=1S/C26H25Cl2FN2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-9-18(27)15-21(22)28)25(16)17-7-10-19(29)11-8-17/h7-12,15,20H,2-6,13-14H2,1H3
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6n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198513
PNG
(2-(4-chlorophenyl)-5-cyclohexyl-1-(2,4-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(23.24,5.12,;23.72,3.66,;25.2,3.19,;25.21,1.64,;26.54,.87,;27.89,1.64,;27.89,3.19,;29.22,3.96,;30.55,3.17,;31.88,3.94,;31.89,5.48,;30.56,6.25,;29.22,5.49,;26.54,3.97,;26.55,5.51,;23.74,1.16,;22.82,2.4,;21.29,2.39,;20.51,3.71,;18.97,3.7,;18.21,2.36,;16.67,2.35,;19,1.03,;20.54,1.05,;23.27,-.31,;21.77,-.63,;21.3,-2.1,;22.33,-3.24,;21.87,-4.7,;23.84,-2.9,;24.31,-1.44,;25.81,-1.1,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(27)10-8-17/h7-12,15,20H,2-6,13-14H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198516
PNG
(1-(2-chlorophenyl)-5-cyclohexyl-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1Cl |(-8.63,2.58,;-7.85,1.25,;-6.31,1.27,;-5.55,2.61,;-4.01,2.62,;-3.23,1.29,;-3.98,-.05,;-5.52,-.07,;-1.69,1.3,;-.79,2.57,;-1.28,4.03,;.68,2.1,;.69,.55,;2.03,-.22,;3.37,.55,;3.37,2.1,;4.7,2.86,;6.04,2.08,;7.37,2.84,;7.38,4.38,;6.04,5.16,;4.7,4.39,;2.03,2.87,;2.03,4.41,;-.78,.06,;-1.25,-1.4,;-2.75,-1.73,;-3.22,-3.19,;-2.18,-4.33,;-.67,-4,;-.21,-2.53,;1.29,-2.2,)|
Show InChI InChI=1S/C27H29ClN2O2/c1-18-25-24(16-17-29(27(25)31)20-8-4-3-5-9-20)30(23-11-7-6-10-22(23)28)26(18)19-12-14-21(32-2)15-13-19/h6-7,10-15,20H,3-5,8-9,16-17H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198511
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-7.11,4.66,;-6.32,3.34,;-4.78,3.35,;-4.02,4.69,;-2.49,4.7,;-1.71,3.38,;-2.46,2.04,;-4,2.02,;-.17,3.39,;.73,4.65,;.24,6.11,;2.21,4.18,;2.21,2.63,;3.55,1.86,;4.89,2.63,;4.89,4.18,;6.22,4.95,;7.56,4.17,;8.89,4.93,;8.9,6.47,;7.57,7.24,;6.22,6.48,;3.55,4.96,;3.55,6.5,;.74,2.15,;.28,.68,;-1.23,.36,;-1.7,-1.1,;-.66,-2.24,;-1.13,-3.71,;.85,-1.91,;1.31,-.44,;2.81,-.11,)|
Show InChI InChI=1S/C27H28Cl2N2O2/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198535
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C=C)cc1)-c1ccc(Cl)cc1Cl |(24.28,6.62,;24.77,5.16,;26.25,4.69,;26.25,3.14,;27.59,2.37,;28.93,3.14,;28.93,4.69,;30.26,5.46,;31.6,4.67,;32.93,5.43,;32.94,6.97,;31.61,7.75,;30.27,6.99,;27.59,5.47,;27.59,7.01,;24.78,2.65,;23.87,3.9,;22.33,3.89,;21.55,5.21,;20.01,5.2,;19.25,3.86,;17.71,3.84,;16.93,5.17,;20.04,2.53,;21.58,2.54,;24.31,1.19,;22.81,.87,;22.34,-.6,;23.38,-1.74,;22.91,-3.21,;24.89,-1.41,;25.35,.06,;26.85,.39,)|
Show InChI InChI=1S/C28H28Cl2N2O/c1-3-19-9-11-20(12-10-19)27-18(2)26-25(32(27)24-14-13-21(29)17-23(24)30)15-16-31(28(26)33)22-7-5-4-6-8-22/h3,9-14,17,22H,1,4-8,15-16H2,2H3
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9.80n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198517
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-p-t...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C)cc1)-c1ccc(Cl)cc1Cl |(.74,-41.76,;1.22,-43.22,;2.7,-43.69,;2.71,-45.24,;4.04,-46.01,;5.39,-45.24,;5.39,-43.69,;6.72,-42.92,;8.05,-43.71,;9.38,-42.95,;9.39,-41.41,;8.06,-40.63,;6.72,-41.4,;4.04,-42.91,;4.05,-41.37,;1.24,-45.72,;.32,-44.48,;-1.22,-44.49,;-1.99,-43.17,;-3.53,-43.18,;-4.29,-44.52,;-5.83,-44.54,;-3.5,-45.85,;-1.96,-45.83,;.77,-47.19,;-.73,-47.51,;-1.2,-48.98,;-.17,-50.12,;-.63,-51.58,;1.34,-49.78,;1.81,-48.32,;3.31,-47.98,)|
Show InChI InChI=1S/C27H28Cl2N2O/c1-17-8-10-19(11-9-17)26-18(2)25-24(31(26)23-13-12-20(28)16-22(23)29)14-15-30(27(25)32)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198510
PNG
(1-(2-chlorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(N3CCCCC3)C2=O)n1-c1ccccc1Cl |(14.72,-23.46,;15.5,-24.79,;17.04,-24.77,;17.8,-23.43,;19.34,-23.42,;20.11,-24.75,;19.36,-26.09,;17.83,-26.11,;21.65,-24.74,;22.55,-23.47,;22.07,-22.01,;24.03,-23.94,;24.04,-25.49,;25.37,-26.26,;26.71,-25.49,;26.71,-23.95,;28.05,-23.18,;29.38,-23.96,;30.71,-23.2,;30.72,-21.66,;29.39,-20.88,;28.05,-21.65,;25.37,-23.17,;25.37,-21.63,;22.57,-25.98,;22.1,-27.44,;20.59,-27.77,;20.13,-29.23,;21.16,-30.37,;22.67,-30.04,;23.13,-28.57,;24.64,-28.24,)|
Show InChI InChI=1S/C26H28ClN3O2/c1-18-24-23(14-17-29(26(24)31)28-15-6-3-7-16-28)30(22-9-5-4-8-21(22)27)25(18)19-10-12-20(32-2)13-11-19/h4-5,8-13H,3,6-7,14-17H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198523
PNG
(2-(4-methoxyphenyl)-3-methyl-5-(piperidin-1-yl)-1-...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(N3CCCCC3)C2=O)n1-c1ccccc1C |(-2.05,-43.01,;-1.27,-44.34,;.27,-44.32,;1.03,-42.98,;2.57,-42.97,;3.34,-44.3,;2.59,-45.64,;1.06,-45.66,;4.88,-44.29,;5.78,-43.02,;5.3,-41.56,;7.26,-43.49,;7.27,-45.04,;8.6,-45.81,;9.94,-45.04,;9.94,-43.5,;11.28,-42.73,;12.61,-43.51,;13.94,-42.75,;13.95,-41.21,;12.62,-40.43,;11.28,-41.2,;8.6,-42.72,;8.6,-41.18,;5.8,-45.53,;5.33,-46.99,;3.82,-47.32,;3.36,-48.78,;4.39,-49.92,;5.9,-49.59,;6.36,-48.12,;7.87,-47.79,)|
Show InChI InChI=1S/C27H31N3O2/c1-19-9-5-6-10-23(19)30-24-15-18-29(28-16-7-4-8-17-28)27(31)25(24)20(2)26(30)21-11-13-22(32-3)14-12-21/h5-6,9-14H,4,7-8,15-18H2,1-3H3
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74n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198536
PNG
(2-(4-chlorophenyl)-5-cyclohexyl-1-(2,6-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1c(Cl)cccc1Cl |(4.22,-1.31,;4.72,-2.76,;6.19,-3.23,;6.19,-4.77,;7.52,-5.53,;8.86,-4.77,;8.86,-3.23,;10.19,-2.47,;11.52,-3.26,;12.85,-2.51,;12.86,-.97,;11.54,-.19,;10.2,-.94,;7.53,-2.45,;7.53,-.9,;4.72,-5.25,;3.82,-4.08,;2.42,-4.13,;1.69,-2.94,;.29,-2.98,;-.37,-4.21,;-1.77,-4.25,;.38,-5.4,;1.77,-5.35,;4.27,-6.73,;5.34,-7.84,;6.83,-7.49,;4.89,-9.32,;3.38,-9.68,;2.32,-8.54,;2.77,-7.07,;1.27,-7.46,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-23-22(14-15-30(26(23)32)19-6-3-2-4-7-19)31(25-20(28)8-5-9-21(25)29)24(16)17-10-12-18(27)13-11-17/h5,8-13,19H,2-4,6-7,14-15H2,1H3
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200n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198530
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-6,7-d...)
Show SMILES Cc1cn(c2CCN(C3CCCCC3)C(=O)c12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2O/c1-13-12-24(17-8-7-14(21)11-16(17)22)18-9-10-23(20(25)19(13)18)15-5-3-2-4-6-15/h7-8,11-12,15H,2-6,9-10H2,1H3
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240n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198518
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(py...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccnc1)-c1ccc(Cl)cc1Cl |(25.49,-21.79,;25.98,-23.25,;27.46,-23.72,;27.46,-25.27,;28.8,-26.04,;30.14,-25.27,;30.14,-23.72,;31.47,-22.95,;32.81,-23.74,;34.14,-22.97,;34.15,-21.43,;32.81,-20.66,;31.47,-21.42,;28.8,-22.94,;28.8,-21.4,;25.99,-25.75,;25.08,-24.51,;23.54,-24.52,;22.77,-25.86,;21.23,-25.87,;20.46,-24.55,;21.21,-23.21,;22.75,-23.19,;25.53,-27.22,;24.02,-27.54,;23.55,-29,;24.59,-30.14,;24.12,-31.61,;26.1,-29.81,;26.56,-28.34,;28.06,-28.01,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-16-23-22(11-13-29(25(23)31)19-7-3-2-4-8-19)30(21-10-9-18(26)14-20(21)27)24(16)17-6-5-12-28-15-17/h5-6,9-10,12,14-15,19H,2-4,7-8,11,13H2,1H3
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390n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198533
PNG
(2-(3-aminophenyl)-5-cyclohexyl-1-(2,4-dichlorophen...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(N)c1)-c1ccc(Cl)cc1Cl |(-1.42,5.62,;-.93,4.16,;.55,3.69,;.56,2.14,;1.89,1.37,;3.23,2.14,;3.23,3.69,;4.56,4.45,;5.9,3.67,;7.23,4.43,;7.24,5.97,;5.91,6.75,;4.57,5.98,;1.89,4.46,;1.89,6,;-.92,1.65,;-1.83,2.9,;-3.37,2.88,;-4.12,1.54,;-5.65,1.53,;-6.44,2.86,;-5.68,4.2,;-6.46,5.52,;-4.14,4.21,;-1.38,.19,;-2.89,-.13,;-3.36,-1.6,;-2.32,-2.74,;-2.79,-4.21,;-.81,-2.41,;-.35,-.94,;1.15,-.61,)|
Show InChI InChI=1S/C26H27Cl2N3O/c1-16-24-23(12-13-30(26(24)32)20-8-3-2-4-9-20)31(22-11-10-18(27)15-21(22)28)25(16)17-6-5-7-19(29)14-17/h5-7,10-11,14-15,20H,2-4,8-9,12-13,29H2,1H3
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450n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198510
PNG
(1-(2-chlorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(N3CCCCC3)C2=O)n1-c1ccccc1Cl |(14.72,-23.46,;15.5,-24.79,;17.04,-24.77,;17.8,-23.43,;19.34,-23.42,;20.11,-24.75,;19.36,-26.09,;17.83,-26.11,;21.65,-24.74,;22.55,-23.47,;22.07,-22.01,;24.03,-23.94,;24.04,-25.49,;25.37,-26.26,;26.71,-25.49,;26.71,-23.95,;28.05,-23.18,;29.38,-23.96,;30.71,-23.2,;30.72,-21.66,;29.39,-20.88,;28.05,-21.65,;25.37,-23.17,;25.37,-21.63,;22.57,-25.98,;22.1,-27.44,;20.59,-27.77,;20.13,-29.23,;21.16,-30.37,;22.67,-30.04,;23.13,-28.57,;24.64,-28.24,)|
Show InChI InChI=1S/C26H28ClN3O2/c1-18-24-23(14-17-29(26(24)31)28-15-6-3-7-16-28)30(22-9-5-4-8-21(22)27)25(18)19-10-12-20(32-2)13-11-19/h4-5,8-13H,3,6-7,14-17H2,1-2H3
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850n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198506
PNG
(2-(4-aminophenyl)-5-cyclohexyl-1-(2,4-dichlorophen...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(N)cc1)-c1ccc(Cl)cc1Cl |(-1.95,-6.91,;-1.46,-8.37,;.02,-8.84,;.03,-10.39,;1.36,-11.16,;2.7,-10.39,;2.7,-8.84,;4.03,-8.07,;5.37,-8.86,;6.7,-8.1,;6.71,-6.56,;5.38,-5.78,;4.04,-6.55,;1.36,-8.06,;1.36,-6.53,;-1.45,-10.88,;-2.36,-9.63,;-3.9,-9.65,;-4.67,-8.32,;-6.21,-8.33,;-6.97,-9.67,;-8.51,-9.69,;-6.19,-11,;-4.65,-10.99,;-1.91,-12.34,;-3.42,-12.66,;-3.89,-14.13,;-2.85,-15.27,;-3.32,-16.74,;-1.34,-14.93,;-.88,-13.47,;.62,-13.14,)|
Show InChI InChI=1S/C26H27Cl2N3O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-9-18(27)15-21(22)28)25(16)17-7-10-19(29)11-8-17/h7-12,15,20H,2-6,13-14,29H2,1H3
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920n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198519
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198507
PNG
(2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)|
Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198520
PNG
(4-(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-4-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(O)=O)-c1ccc(Cl)cc1Cl |(24.49,-7.15,;24.97,-8.61,;26.45,-9.08,;26.46,-10.63,;27.79,-11.4,;29.13,-10.63,;29.13,-9.08,;30.47,-8.31,;31.8,-9.1,;33.13,-8.34,;33.14,-6.8,;31.81,-6.02,;30.47,-6.79,;27.79,-8.3,;27.79,-6.76,;24.99,-11.11,;24.07,-9.87,;22.53,-9.88,;21.76,-8.56,;20.22,-8.57,;19.46,-9.91,;20.25,-11.24,;21.78,-11.22,;17.92,-9.93,;17.14,-8.6,;17.16,-11.27,;24.52,-12.58,;23.01,-12.9,;22.55,-14.37,;23.58,-15.51,;23.12,-16.98,;25.09,-15.17,;25.55,-13.71,;27.06,-13.37,)|
Show InChI InChI=1S/C27H26Cl2N2O3/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(33)34/h7-12,15,20H,2-6,13-14H2,1H3,(H,33,34)
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>2.50E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198508
PNG
(1,2-bis(4-chlorophenyl)-5-cyclohexyl-3-methyl-6,7-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(15-16-29(26(24)31)21-5-3-2-4-6-21)30(22-13-11-20(28)12-14-22)25(17)18-7-9-19(27)10-8-18/h7-14,21H,2-6,15-16H2,1H3
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>2.50E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198522
PNG
(1-(4-chlorophenyl)-5-cyclohexyl-2-(2,4-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(24.23,-10.69,;24.72,-12.15,;26.2,-12.62,;26.2,-14.17,;27.54,-14.94,;28.88,-14.17,;28.88,-12.62,;30.21,-11.85,;31.55,-12.64,;32.88,-11.88,;32.89,-10.34,;31.55,-9.56,;30.21,-10.33,;27.54,-11.84,;27.54,-10.31,;24.73,-14.66,;23.82,-13.41,;22.28,-13.43,;21.53,-14.77,;19.99,-14.78,;19.2,-13.45,;17.67,-13.47,;19.97,-12.11,;21.5,-12.1,;22.26,-10.76,;24.26,-16.12,;22.76,-16.44,;22.29,-17.91,;23.33,-19.05,;22.86,-20.52,;24.84,-18.71,;25.3,-17.25,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-24-23(13-14-30(26(24)32)19-5-3-2-4-6-19)31(20-10-7-17(27)8-11-20)25(16)21-12-9-18(28)15-22(21)29/h7-12,15,19H,2-6,13-14H2,1H3
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>2.50E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198534
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)
Show SMILES CSc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-8.64,-20.29,;-7.85,-21.62,;-6.32,-21.6,;-5.55,-20.26,;-4.02,-20.25,;-3.24,-21.58,;-3.99,-22.92,;-5.53,-22.94,;-1.7,-21.57,;-.8,-20.3,;-1.29,-18.84,;.68,-20.77,;.68,-22.32,;2.02,-23.09,;3.36,-22.32,;3.36,-20.77,;4.69,-20.01,;6.03,-20.79,;7.36,-20.03,;7.37,-18.49,;6.04,-17.71,;4.69,-18.48,;2.02,-20,;2.02,-18.46,;-.79,-22.81,;-1.26,-24.27,;-2.76,-24.6,;-3.23,-26.06,;-2.19,-27.2,;-2.66,-28.67,;-.68,-26.87,;-.22,-25.4,;1.28,-25.07,)|
Show InChI InChI=1S/C27H28Cl2N2OS/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3
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>2.50E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198513
PNG
(2-(4-chlorophenyl)-5-cyclohexyl-1-(2,4-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(23.24,5.12,;23.72,3.66,;25.2,3.19,;25.21,1.64,;26.54,.87,;27.89,1.64,;27.89,3.19,;29.22,3.96,;30.55,3.17,;31.88,3.94,;31.89,5.48,;30.56,6.25,;29.22,5.49,;26.54,3.97,;26.55,5.51,;23.74,1.16,;22.82,2.4,;21.29,2.39,;20.51,3.71,;18.97,3.7,;18.21,2.36,;16.67,2.35,;19,1.03,;20.54,1.05,;23.27,-.31,;21.77,-.63,;21.3,-2.1,;22.33,-3.24,;21.87,-4.7,;23.84,-2.9,;24.31,-1.44,;25.81,-1.1,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(27)10-8-17/h7-12,15,20H,2-6,13-14H2,1H3
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8.30E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198505
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3-methoxyph...)
Show SMILES COc1cccc(c1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-5.69,-31.13,;-6.45,-32.47,;-5.67,-33.8,;-6.43,-35.14,;-5.65,-36.47,;-4.11,-36.45,;-3.36,-35.11,;-4.14,-33.79,;-1.82,-35.1,;-.92,-33.84,;-1.41,-32.38,;.56,-34.31,;.56,-35.86,;1.9,-36.63,;3.24,-35.86,;3.24,-34.31,;4.57,-33.54,;5.91,-34.33,;7.24,-33.56,;7.25,-32.02,;5.92,-31.25,;4.57,-32.01,;1.9,-33.53,;1.9,-31.99,;-.91,-36.34,;-1.37,-37.81,;-2.88,-38.13,;-3.35,-39.6,;-2.31,-40.74,;-2.78,-42.2,;-.8,-40.4,;-.34,-38.94,;1.16,-38.6,)|
Show InChI InChI=1S/C27H28Cl2N2O2/c1-17-25-24(13-14-30(27(25)32)20-8-4-3-5-9-20)31(23-12-11-19(28)16-22(23)29)26(17)18-7-6-10-21(15-18)33-2/h6-7,10-12,15-16,20H,3-5,8-9,13-14H2,1-2H3
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n/an/a 6.80n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198521
PNG
(5-cyclohexyl-3-methyl-1-o-tolyl-2-(4-(trifluoromet...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccccc1C |(-.13,-9.49,;.36,-10.95,;1.84,-11.42,;1.85,-12.97,;3.18,-13.74,;4.52,-12.97,;4.52,-11.42,;5.86,-10.65,;7.19,-11.43,;8.52,-10.67,;8.53,-9.13,;7.2,-8.36,;5.86,-9.12,;3.18,-10.64,;3.18,-9.1,;.38,-13.45,;-.54,-12.21,;-2.08,-12.22,;-2.85,-10.9,;-4.39,-10.91,;-5.15,-12.25,;-4.36,-13.58,;-2.83,-13.56,;-6.69,-12.26,;-8.24,-12.26,;-6.69,-13.8,;-6.69,-10.72,;-.09,-14.92,;-1.6,-15.24,;-2.07,-16.71,;-1.03,-17.85,;.48,-17.51,;.94,-16.05,;2.44,-15.71,)|
Show InChI InChI=1S/C28H29F3N2O/c1-18-8-6-7-11-23(18)33-24-16-17-32(22-9-4-3-5-10-22)27(34)25(24)19(2)26(33)20-12-14-21(15-13-20)28(29,30)31/h6-8,11-15,22H,3-5,9-10,16-17H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198515
PNG
(2-(benzo[d][1,3]dioxol-5-yl)-5-cyclohexyl-1-(2,4-d...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc2OCOc2c1)-c1ccc(Cl)cc1Cl |(1.65,-45.35,;2.14,-46.81,;3.62,-47.28,;3.63,-48.83,;4.96,-49.59,;6.3,-48.83,;6.3,-47.28,;7.63,-46.51,;8.97,-47.29,;10.3,-46.53,;10.31,-44.99,;8.97,-44.22,;7.63,-44.98,;4.96,-46.5,;4.96,-44.96,;2.15,-49.31,;1.24,-48.07,;-.3,-48.08,;-1.05,-49.42,;-2.58,-49.44,;-3.37,-48.11,;-4.89,-47.8,;-5.06,-46.26,;-3.65,-45.62,;-2.61,-46.76,;-1.07,-46.76,;1.69,-50.78,;.18,-51.1,;-.29,-52.56,;.75,-53.7,;.28,-55.17,;2.26,-53.37,;2.72,-51.9,;4.22,-51.57,)|
Show InChI InChI=1S/C27H26Cl2N2O3/c1-16-25-22(11-12-30(27(25)32)19-5-3-2-4-6-19)31(21-9-8-18(28)14-20(21)29)26(16)17-7-10-23-24(13-17)34-15-33-23/h7-10,13-14,19H,2-6,11-12,15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198537
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-phe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccccc1)-c1ccc(Cl)cc1Cl |(-3.71,-25.55,;-3.22,-27.01,;-1.74,-27.47,;-1.74,-29.03,;-.4,-29.8,;.94,-29.03,;.94,-27.48,;2.27,-26.71,;3.61,-27.49,;4.94,-26.73,;4.95,-25.19,;3.61,-24.42,;2.27,-25.18,;-.4,-26.7,;-.4,-25.16,;-3.21,-29.51,;-4.12,-28.27,;-5.66,-28.28,;-6.44,-26.96,;-7.97,-26.97,;-8.73,-28.31,;-7.95,-29.64,;-6.41,-29.62,;-3.68,-30.98,;-5.18,-31.3,;-5.65,-32.76,;-4.61,-33.9,;-5.08,-35.37,;-3.1,-33.57,;-2.64,-32.1,;-1.14,-31.77,)|
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(14-15-29(26(24)31)20-10-6-3-7-11-20)30(22-13-12-19(27)16-21(22)28)25(17)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,16,20H,3,6-7,10-11,14-15H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198524
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-m-t...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(C)c1)-c1ccc(Cl)cc1Cl |(25.53,-18.89,;26.02,-20.35,;27.5,-20.82,;27.51,-22.37,;28.84,-23.14,;30.18,-22.37,;30.18,-20.83,;31.51,-20.06,;32.85,-20.84,;34.18,-20.08,;34.19,-18.54,;32.86,-17.77,;31.52,-18.53,;28.84,-20.05,;28.84,-18.51,;26.03,-22.86,;25.12,-21.62,;23.58,-21.63,;22.83,-22.97,;21.29,-22.99,;20.51,-21.66,;21.27,-20.32,;20.49,-18.99,;22.81,-20.3,;25.57,-24.33,;24.06,-24.65,;23.59,-26.11,;24.63,-27.25,;24.16,-28.72,;26.14,-26.92,;26.6,-25.45,;28.1,-25.12,)|
Show InChI InChI=1S/C27H28Cl2N2O/c1-17-7-6-8-19(15-17)26-18(2)25-24(31(26)23-12-11-20(28)16-22(23)29)13-14-30(27(25)32)21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198531
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(th...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccs1)-c1ccc(Cl)cc1Cl |(-1.61,-8.36,;-1.13,-9.82,;.35,-10.29,;.36,-11.84,;1.69,-12.61,;3.03,-11.84,;3.03,-10.29,;4.37,-9.52,;5.7,-10.31,;7.03,-9.55,;7.04,-8.01,;5.71,-7.23,;4.37,-8,;1.69,-9.51,;1.69,-7.97,;-1.11,-12.32,;-2.03,-11.08,;-3.57,-11.09,;-4.45,-12.34,;-5.92,-11.88,;-5.93,-10.34,;-4.47,-9.85,;-1.58,-13.79,;-3.08,-14.11,;-3.55,-15.57,;-2.52,-16.71,;-2.98,-18.18,;-1.01,-16.38,;-.55,-14.92,;.96,-14.58,)|
Show InChI InChI=1S/C24H24Cl2N2OS/c1-15-22-20(11-12-27(24(22)29)17-6-3-2-4-7-17)28(23(15)21-8-5-13-30-21)19-10-9-16(25)14-18(19)26/h5,8-10,13-14,17H,2-4,6-7,11-12H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198528
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(furan-2-yl)...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccco1)-c1ccc(Cl)cc1Cl |(24.83,-8.63,;25.32,-10.09,;26.8,-10.56,;26.8,-12.11,;28.14,-12.88,;29.48,-12.11,;29.48,-10.56,;30.81,-9.8,;32.14,-10.58,;33.47,-9.82,;33.48,-8.28,;32.15,-7.5,;30.81,-8.27,;28.14,-9.79,;28.14,-8.25,;25.33,-12.6,;24.42,-11.35,;22.88,-11.37,;22,-12.61,;20.53,-12.15,;20.51,-10.61,;21.97,-10.12,;24.87,-14.06,;23.36,-14.38,;22.89,-15.85,;23.93,-16.99,;23.46,-18.45,;25.44,-16.65,;25.9,-15.19,;27.4,-14.85,)|
Show InChI InChI=1S/C24H24Cl2N2O2/c1-15-22-20(11-12-27(24(22)29)17-6-3-2-4-7-17)28(23(15)21-8-5-13-30-21)19-10-9-16(25)14-18(19)26/h5,8-10,13-14,17H,2-4,6-7,11-12H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198527
PNG
(5-cyclohexyl-2-(4-methoxyphenyl)-3-methyl-1-o-toly...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1C |(16.07,2.73,;16.85,1.41,;18.39,1.42,;19.15,2.76,;20.69,2.77,;21.46,1.45,;20.71,.11,;19.18,.09,;23,1.46,;23.9,2.72,;23.41,4.18,;25.38,2.25,;25.39,.7,;26.72,-.07,;28.06,.7,;28.06,2.25,;29.4,3.02,;30.73,2.23,;32.06,3,;32.07,4.54,;30.74,5.31,;29.4,4.55,;26.72,3.03,;26.72,4.57,;23.92,.22,;23.45,-1.25,;21.94,-1.57,;21.47,-3.04,;22.51,-4.18,;24.02,-3.84,;24.48,-2.38,;25.98,-2.04,)|
Show InChI InChI=1S/C28H32N2O2/c1-19-9-7-8-12-24(19)30-25-17-18-29(22-10-5-4-6-11-22)28(31)26(25)20(2)27(30)21-13-15-23(32-3)16-14-21/h7-9,12-16,22H,4-6,10-11,17-18H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198514
PNG
(2-(benzo[b]thiophen-2-yl)-5-cyclohexyl-1-(2,4-dich...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cc2ccccc2s1)-c1ccc(Cl)cc1Cl |(-.85,-21.19,;-.36,-22.65,;1.12,-23.12,;1.13,-24.67,;2.46,-25.44,;3.81,-24.67,;3.81,-23.13,;5.14,-22.36,;6.48,-23.14,;7.81,-22.38,;7.81,-20.84,;6.48,-20.06,;5.14,-20.83,;2.46,-22.35,;2.46,-20.81,;-.34,-25.16,;-1.26,-23.92,;-2.8,-23.93,;-3.68,-25.18,;-5.15,-24.72,;-6.47,-25.5,;-7.81,-24.74,;-7.82,-23.2,;-6.5,-22.42,;-5.16,-23.18,;-3.7,-22.69,;-.81,-26.63,;-2.32,-26.95,;-2.79,-28.41,;-1.75,-29.55,;-2.21,-31.02,;-.24,-29.22,;.22,-27.75,;1.73,-27.42,)|
Show InChI InChI=1S/C28H26Cl2N2OS/c1-17-26-23(13-14-31(28(26)33)20-8-3-2-4-9-20)32(22-12-11-19(29)16-21(22)30)27(17)25-15-18-7-5-6-10-24(18)34-25/h5-7,10-12,15-16,20H,2-4,8-9,13-14H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198538
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(th...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccsc1)-c1ccc(Cl)cc1Cl |(24.2,6.05,;24.68,4.59,;26.16,4.12,;26.17,2.57,;27.5,1.8,;28.84,2.57,;28.84,4.12,;30.18,4.89,;31.51,4.1,;32.84,4.86,;32.85,6.4,;31.52,7.18,;30.18,6.41,;27.5,4.9,;27.5,6.44,;24.7,2.09,;23.78,3.33,;22.25,3.32,;21.33,4.56,;19.87,4.08,;19.89,2.54,;21.36,2.08,;24.23,.62,;22.73,.3,;22.26,-1.16,;23.29,-2.3,;22.83,-3.77,;24.8,-1.97,;25.26,-.5,;26.77,-.17,)|
Show InChI InChI=1S/C24H24Cl2N2OS/c1-15-22-21(9-11-27(24(22)29)18-5-3-2-4-6-18)28(23(15)16-10-12-30-14-16)20-8-7-17(25)13-19(20)26/h7-8,10,12-14,18H,2-6,9,11H2,1H3
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n/an/a 37n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198509
PNG
(5-cyclohexyl-2-(4-fluorophenyl)-3-methyl-1-o-tolyl...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(F)cc1)-c1ccccc1C |(26.04,-9.18,;26.53,-10.64,;28.01,-11.11,;28.02,-12.66,;29.35,-13.43,;30.69,-12.66,;30.69,-11.11,;32.02,-10.34,;33.36,-11.12,;34.69,-10.36,;34.7,-8.82,;33.37,-8.05,;32.03,-8.81,;29.35,-10.33,;29.35,-8.79,;26.54,-13.14,;25.63,-11.9,;24.09,-11.91,;23.32,-10.59,;21.78,-10.6,;21.02,-11.94,;19.48,-11.95,;21.81,-13.27,;23.34,-13.25,;26.08,-14.61,;24.57,-14.93,;24.1,-16.39,;25.14,-17.53,;26.65,-17.2,;27.11,-15.74,;28.61,-15.4,)|
Show InChI InChI=1S/C27H29FN2O/c1-18-8-6-7-11-23(18)30-24-16-17-29(22-9-4-3-5-10-22)27(31)25(24)19(2)26(30)20-12-14-21(28)15-13-20/h6-8,11-15,22H,3-5,9-10,16-17H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198512
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(3-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24,-45.62,;24.49,-47.08,;25.96,-47.55,;25.97,-49.1,;27.31,-49.87,;28.65,-49.1,;28.65,-47.55,;29.98,-46.78,;31.32,-47.56,;32.65,-46.8,;32.66,-45.26,;31.32,-44.49,;29.98,-45.25,;27.31,-46.77,;27.31,-45.23,;24.5,-49.58,;23.59,-48.34,;22.05,-48.35,;21.3,-49.69,;19.76,-49.71,;18.97,-48.38,;19.73,-47.04,;21.27,-47.03,;18.95,-45.71,;18.17,-44.38,;17.63,-46.49,;20.29,-44.94,;24.03,-51.05,;22.53,-51.37,;22.06,-52.83,;23.1,-53.97,;22.63,-55.44,;24.61,-53.64,;25.07,-52.18,;26.57,-51.84,)|
Show InChI InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(12-13-33(26(24)35)20-8-3-2-4-9-20)34(22-11-10-19(28)15-21(22)29)25(16)17-6-5-7-18(14-17)27(30,31)32/h5-7,10-11,14-15,20H,2-4,8-9,12-13H2,1H3
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n/an/a 67n/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%