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PubMed code 18512901

Compile data set for download or QSAR
Found 27 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))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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0.000350n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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5.55n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271287
PNG
(5-(4-Chloro-2-methylphenyl)-1-(2,4-dichlorophenyl)...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(23.68,.56,;24.82,-.46,;26.33,-.13,;27.11,-1.46,;26.08,-2.61,;24.67,-1.99,;23.34,-2.76,;23.35,-4.32,;22,-5.09,;20.67,-4.32,;19.34,-5.08,;20.68,-2.77,;22,-2,;21.99,-.46,;26.41,-4.12,;25.27,-5.15,;25.59,-6.65,;27.06,-7.12,;27.39,-8.63,;28.2,-6.08,;27.87,-4.58,;29.01,-3.54,;26.95,1.28,;26.04,2.52,;28.48,1.44,;29.1,2.85,;30.64,3.02,;31.26,4.41,;30.35,5.66,;28.82,5.5,;28.19,4.09,)|
Show InChI InChI=1S/C23H23Cl3N4O/c1-14-12-16(24)6-8-18(14)22-15(2)21(23(31)28-29-10-4-3-5-11-29)27-30(22)20-9-7-17(25)13-19(20)26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,31)
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5.83n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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6.18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50270540
PNG
(9-Chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-2-3-7-20-23(25(33)30-31-12-4-1-5-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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14.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176983
PNG
(7-chloro-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-5-8-17-14(12-15)4-7-18-21(23(31)28-29-10-2-1-3-11-29)27-30(22(17)18)20-9-6-16(25)13-19(20)26/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,28,31)
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15n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271287
PNG
(5-(4-Chloro-2-methylphenyl)-1-(2,4-dichlorophenyl)...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(23.68,.56,;24.82,-.46,;26.33,-.13,;27.11,-1.46,;26.08,-2.61,;24.67,-1.99,;23.34,-2.76,;23.35,-4.32,;22,-5.09,;20.67,-4.32,;19.34,-5.08,;20.68,-2.77,;22,-2,;21.99,-.46,;26.41,-4.12,;25.27,-5.15,;25.59,-6.65,;27.06,-7.12,;27.39,-8.63,;28.2,-6.08,;27.87,-4.58,;29.01,-3.54,;26.95,1.28,;26.04,2.52,;28.48,1.44,;29.1,2.85,;30.64,3.02,;31.26,4.41,;30.35,5.66,;28.82,5.5,;28.19,4.09,)|
Show InChI InChI=1S/C23H23Cl3N4O/c1-14-12-16(24)6-8-18(14)22-15(2)21(23(31)28-29-10-4-3-5-11-29)27-30(22)20-9-7-17(25)13-19(20)26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,31)
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16.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271285
PNG
(1,5-bis(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-6.35,.25,;-5.2,-.78,;-3.69,-.45,;-2.91,-1.78,;-3.94,-2.93,;-5.35,-2.31,;-6.68,-3.08,;-6.67,-4.63,;-8.02,-5.4,;-9.35,-4.63,;-10.68,-5.4,;-9.35,-3.09,;-8.02,-2.32,;-8.03,-.78,;-3.61,-4.43,;-4.75,-5.47,;-4.43,-6.97,;-2.96,-7.44,;-2.63,-8.95,;-1.82,-6.4,;-2.15,-4.9,;-1.01,-3.86,;-3.07,.96,;-3.98,2.2,;-1.54,1.13,;-.92,2.54,;.62,2.7,;1.24,4.09,;.33,5.34,;-1.2,5.18,;-1.83,3.77,)|
Show InChI InChI=1S/C22H20Cl4N4O/c1-13-20(22(31)28-29-9-3-2-4-10-29)27-30(19-8-6-15(24)12-18(19)26)21(13)16-7-5-14(23)11-17(16)25/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
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17.9n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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18.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271285
PNG
(1,5-bis(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-6.35,.25,;-5.2,-.78,;-3.69,-.45,;-2.91,-1.78,;-3.94,-2.93,;-5.35,-2.31,;-6.68,-3.08,;-6.67,-4.63,;-8.02,-5.4,;-9.35,-4.63,;-10.68,-5.4,;-9.35,-3.09,;-8.02,-2.32,;-8.03,-.78,;-3.61,-4.43,;-4.75,-5.47,;-4.43,-6.97,;-2.96,-7.44,;-2.63,-8.95,;-1.82,-6.4,;-2.15,-4.9,;-1.01,-3.86,;-3.07,.96,;-3.98,2.2,;-1.54,1.13,;-.92,2.54,;.62,2.7,;1.24,4.09,;.33,5.34,;-1.2,5.18,;-1.83,3.77,)|
Show InChI InChI=1S/C22H20Cl4N4O/c1-13-20(22(31)28-29-9-3-2-4-10-29)27-30(19-8-6-15(24)12-18(19)26)21(13)16-7-5-14(23)11-17(16)25/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
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34.2n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50270540
PNG
(9-Chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-2-3-7-20-23(25(33)30-31-12-4-1-5-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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40.9n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50270539
PNG
(5-(4-Chloro-2,6-dimethylphenyl)-1-(2,4-dichlorophe...)
Show SMILES Cc1c(nn(c1-c1c(C)cc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(6.9,-10.25,;8.05,-11.27,;9.55,-10.95,;10.33,-12.27,;9.31,-13.42,;7.89,-12.8,;6.57,-13.58,;5.23,-12.81,;5.22,-11.27,;3.9,-13.58,;3.9,-15.13,;2.56,-15.9,;5.23,-15.9,;6.57,-15.13,;6.56,-16.66,;9.63,-14.93,;8.5,-15.96,;8.82,-17.47,;10.29,-17.93,;10.61,-19.45,;11.43,-16.9,;11.1,-15.4,;12.24,-14.36,;10.17,-9.53,;9.26,-8.3,;11.7,-9.38,;12.32,-7.97,;13.86,-7.8,;14.48,-6.42,;13.58,-5.17,;12.04,-5.32,;11.41,-6.74,)|
Show InChI InChI=1S/C24H25Cl3N4O/c1-14-11-18(26)12-15(2)21(14)23-16(3)22(24(32)29-30-9-5-4-6-10-30)28-31(23)20-8-7-17(25)13-19(20)27/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,29,32)
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116n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271286
PNG
(5-(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1-yl-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(8.45,.69,;9.6,-.33,;11.1,-.01,;11.88,-1.34,;10.85,-2.49,;9.44,-1.87,;8.11,-2.64,;8.12,-4.19,;6.78,-4.96,;5.44,-4.19,;4.11,-4.96,;5.45,-2.64,;6.77,-1.87,;6.76,-.33,;11.18,-3.99,;12.64,-4.45,;13.78,-3.41,;12.98,-5.95,;11.83,-7,;12.16,-8.5,;10.37,-6.53,;10.04,-5.02,;8.57,-4.55,;11.72,1.4,;10.81,2.65,;13.25,1.57,;13.87,2.98,;15.41,3.15,;16.03,4.54,;15.12,5.79,;13.59,5.63,;12.96,4.22,)|
Show InChI InChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32)
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148n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271288
PNG
(5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)|
Show InChI InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
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152n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50270539
PNG
(5-(4-Chloro-2,6-dimethylphenyl)-1-(2,4-dichlorophe...)
Show SMILES Cc1c(nn(c1-c1c(C)cc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(6.9,-10.25,;8.05,-11.27,;9.55,-10.95,;10.33,-12.27,;9.31,-13.42,;7.89,-12.8,;6.57,-13.58,;5.23,-12.81,;5.22,-11.27,;3.9,-13.58,;3.9,-15.13,;2.56,-15.9,;5.23,-15.9,;6.57,-15.13,;6.56,-16.66,;9.63,-14.93,;8.5,-15.96,;8.82,-17.47,;10.29,-17.93,;10.61,-19.45,;11.43,-16.9,;11.1,-15.4,;12.24,-14.36,;10.17,-9.53,;9.26,-8.3,;11.7,-9.38,;12.32,-7.97,;13.86,-7.8,;14.48,-6.42,;13.58,-5.17,;12.04,-5.32,;11.41,-6.74,)|
Show InChI InChI=1S/C24H25Cl3N4O/c1-14-11-18(26)12-15(2)21(14)23-16(3)22(24(32)29-30-9-5-4-6-10-30)28-31(23)20-8-7-17(25)13-19(20)27/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,29,32)
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194n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176983
PNG
(7-chloro-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-5-8-17-14(12-15)4-7-18-21(23(31)28-29-10-2-1-3-11-29)27-30(22(17)18)20-9-6-16(25)13-19(20)26/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,28,31)
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230n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271288
PNG
(5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)|
Show InChI InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
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251n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271286
PNG
(5-(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1-yl-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(8.45,.69,;9.6,-.33,;11.1,-.01,;11.88,-1.34,;10.85,-2.49,;9.44,-1.87,;8.11,-2.64,;8.12,-4.19,;6.78,-4.96,;5.44,-4.19,;4.11,-4.96,;5.45,-2.64,;6.77,-1.87,;6.76,-.33,;11.18,-3.99,;12.64,-4.45,;13.78,-3.41,;12.98,-5.95,;11.83,-7,;12.16,-8.5,;10.37,-6.53,;10.04,-5.02,;8.57,-4.55,;11.72,1.4,;10.81,2.65,;13.25,1.57,;13.87,2.98,;15.41,3.15,;16.03,4.54,;15.12,5.79,;13.59,5.63,;12.96,4.22,)|
Show InChI InChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32)
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261n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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313n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50270540
PNG
(9-Chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-2-3-7-20-23(25(33)30-31-12-4-1-5-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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492n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50270539
PNG
(5-(4-Chloro-2,6-dimethylphenyl)-1-(2,4-dichlorophe...)
Show SMILES Cc1c(nn(c1-c1c(C)cc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(6.9,-10.25,;8.05,-11.27,;9.55,-10.95,;10.33,-12.27,;9.31,-13.42,;7.89,-12.8,;6.57,-13.58,;5.23,-12.81,;5.22,-11.27,;3.9,-13.58,;3.9,-15.13,;2.56,-15.9,;5.23,-15.9,;6.57,-15.13,;6.56,-16.66,;9.63,-14.93,;8.5,-15.96,;8.82,-17.47,;10.29,-17.93,;10.61,-19.45,;11.43,-16.9,;11.1,-15.4,;12.24,-14.36,;10.17,-9.53,;9.26,-8.3,;11.7,-9.38,;12.32,-7.97,;13.86,-7.8,;14.48,-6.42,;13.58,-5.17,;12.04,-5.32,;11.41,-6.74,)|
Show InChI InChI=1S/C24H25Cl3N4O/c1-14-11-18(26)12-15(2)21(14)23-16(3)22(24(32)29-30-9-5-4-6-10-30)28-31(23)20-8-7-17(25)13-19(20)27/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,29,32)
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758n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50271285
PNG
(1,5-bis(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-6.35,.25,;-5.2,-.78,;-3.69,-.45,;-2.91,-1.78,;-3.94,-2.93,;-5.35,-2.31,;-6.68,-3.08,;-6.67,-4.63,;-8.02,-5.4,;-9.35,-4.63,;-10.68,-5.4,;-9.35,-3.09,;-8.02,-2.32,;-8.03,-.78,;-3.61,-4.43,;-4.75,-5.47,;-4.43,-6.97,;-2.96,-7.44,;-2.63,-8.95,;-1.82,-6.4,;-2.15,-4.9,;-1.01,-3.86,;-3.07,.96,;-3.98,2.2,;-1.54,1.13,;-.92,2.54,;.62,2.7,;1.24,4.09,;.33,5.34,;-1.2,5.18,;-1.83,3.77,)|
Show InChI InChI=1S/C22H20Cl4N4O/c1-13-20(22(31)28-29-9-3-2-4-10-29)27-30(19-8-6-15(24)12-18(19)26)21(13)16-7-5-14(23)11-17(16)25/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
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1.04E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50271286
PNG
(5-(2,4-Dichlorophenyl)-4-methyl-N-piperidin-1-yl-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(8.45,.69,;9.6,-.33,;11.1,-.01,;11.88,-1.34,;10.85,-2.49,;9.44,-1.87,;8.11,-2.64,;8.12,-4.19,;6.78,-4.96,;5.44,-4.19,;4.11,-4.96,;5.45,-2.64,;6.77,-1.87,;6.76,-.33,;11.18,-3.99,;12.64,-4.45,;13.78,-3.41,;12.98,-5.95,;11.83,-7,;12.16,-8.5,;10.37,-6.53,;10.04,-5.02,;8.57,-4.55,;11.72,1.4,;10.81,2.65,;13.25,1.57,;13.87,2.98,;15.41,3.15,;16.03,4.54,;15.12,5.79,;13.59,5.63,;12.96,4.22,)|
Show InChI InChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32)
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1.11E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50271287
PNG
(5-(4-Chloro-2-methylphenyl)-1-(2,4-dichlorophenyl)...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(23.68,.56,;24.82,-.46,;26.33,-.13,;27.11,-1.46,;26.08,-2.61,;24.67,-1.99,;23.34,-2.76,;23.35,-4.32,;22,-5.09,;20.67,-4.32,;19.34,-5.08,;20.68,-2.77,;22,-2,;21.99,-.46,;26.41,-4.12,;25.27,-5.15,;25.59,-6.65,;27.06,-7.12,;27.39,-8.63,;28.2,-6.08,;27.87,-4.58,;29.01,-3.54,;26.95,1.28,;26.04,2.52,;28.48,1.44,;29.1,2.85,;30.64,3.02,;31.26,4.41,;30.35,5.66,;28.82,5.5,;28.19,4.09,)|
Show InChI InChI=1S/C23H23Cl3N4O/c1-14-12-16(24)6-8-18(14)22-15(2)21(23(31)28-29-10-4-3-5-11-29)27-30(22)20-9-7-17(25)13-19(20)26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,31)
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1.12E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50271288
PNG
(5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)|
Show InChI InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
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1.78E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%