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PubMed code 17383180

Compile data set for download or QSAR
Found 52 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))
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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PubMed
1.10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208974
PNG
(CHEMBL390543 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)
Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H23Cl2N3O/c1-15-7-10-18(11-8-15)28-14-21(23(29)26-17-5-3-2-4-6-17)27-22(28)19-12-9-16(24)13-20(19)25/h7-14,17H,2-6H2,1H3,(H,26,29)
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1.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208948
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)
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2.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208975
PNG
(1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50140237
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
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3.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208955
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-p-tolyl-1H-imida...)
Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O/c1-16-11-13-18(14-12-16)27-15-21(23(28)25-17-7-3-2-4-8-17)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28)
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4.60n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208951
PNG
(CHEMBL229583 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)
Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H23Cl2N3O2/c1-30-18-10-8-17(9-11-18)28-14-21(23(29)26-16-5-3-2-4-6-16)27-22(28)19-12-7-15(24)13-20(19)25/h7-14,16H,2-6H2,1H3,(H,26,29)
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4.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208968
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C24H25Cl2N3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208972
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES CCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208969
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2R)-2...)
Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208978
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES Cc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14-21(23(30)26-19-8-4-5-9-20(19)29)27-22(17-6-2-3-7-18(17)25)28(14)16-12-10-15(24)11-13-16/h2-3,6-7,10-13,19-20,29H,4-5,8-9H2,1H3,(H,26,30)/t19-,20-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208973
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dimethylphe...)
Show SMILES Cc1ccc(-c2nc(cn2-c2ccc(Cl)cc2)C(=O)NC2CCCCC2)c(C)c1
Show InChI InChI=1S/C24H26ClN3O/c1-16-8-13-21(17(2)14-16)23-27-22(24(29)26-19-6-4-3-5-7-19)15-28(23)20-11-9-18(25)10-12-20/h8-15,19H,3-7H2,1-2H3,(H,26,29)
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7.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50123692
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-pyr...)
Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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7.80n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208956
PNG
(CHEMBL229584 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)
Show SMILES Fc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl2FN3O/c23-14-6-11-18(19(24)12-14)21-27-20(22(29)26-16-4-2-1-3-5-16)13-28(21)17-9-7-15(25)8-10-17/h6-13,16H,1-5H2,(H,26,29)
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8.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208982
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-29-18-13-11-17(12-14-18)27-15-21(23(28)25-16-7-3-2-4-8-16)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-16H,2-4,7-8H2,1H3,(H,25,28)
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9n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208971
PNG
(5-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((...)
Show SMILES CCCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C26H29Cl2N3O2/c1-2-3-11-22-24(26(33)29-21-10-6-7-12-23(21)32)30-25(19-8-4-5-9-20(19)28)31(22)18-15-13-17(27)14-16-18/h4-5,8-9,13-16,21,23,32H,2-3,6-7,10-12H2,1H3,(H,29,33)/t21-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208976
PNG
(CHEMBL395322 | rac-2-(2-chlorophenyl)-1-(4-chlorop...)
Show SMILES O[C@H]1[C@H](Cc2ccccc12)NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-22(28-24(30)19-7-3-4-8-20(19)27)25(32)29-21-13-15-5-1-2-6-18(15)23(21)31/h1-12,14,21,23,31H,13H2,(H,29,32)/t21-,23+/m0/s1
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17n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208970
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylcyclohe...)
Show SMILES CC1CCC(CC1)n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H30ClN3O/c1-16-11-13-18(14-12-16)27-15-21(23(28)25-17-7-3-2-4-8-17)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-10,15-18H,2-4,7-8,11-14H2,1H3,(H,25,28)
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17n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208949
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES CC(C)c1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C25H27Cl2N3O2/c1-15(2)23-22(25(32)28-20-9-5-6-10-21(20)31)29-24(18-7-3-4-8-19(18)27)30(23)17-13-11-16(26)12-14-17/h3-4,7-8,11-15,20-21,31H,5-6,9-10H2,1-2H3,(H,28,32)/t20-,21-/m0/s1
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18n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208979
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1R,2S)-2...)
Show SMILES O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m0/s1
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18n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208964
PNG
(5-bromo-2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1nc(-c2ccccc2Cl)n(c1Br)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20BrCl2N3O2/c23-20-19(22(30)26-17-7-3-4-8-18(17)29)27-21(15-5-1-2-6-16(15)25)28(20)14-11-9-13(24)10-12-14/h1-2,5-6,9-12,17-18,29H,3-4,7-8H2,(H,26,30)/t17-,18-/m0/s1
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19n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208967
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-fluorophenyl)...)
Show SMILES Fc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H21ClFN3O/c23-19-9-5-4-8-18(19)21-26-20(22(28)25-16-6-2-1-3-7-16)14-27(21)17-12-10-15(24)11-13-17/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)
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20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208961
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-o-tolyl-1H-imida...)
Show SMILES Cc1ccccc1-c1nc(cn1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O/c1-16-7-5-6-10-20(16)22-26-21(23(28)25-18-8-3-2-4-9-18)15-27(22)19-13-11-17(24)12-14-19/h5-7,10-15,18H,2-4,8-9H2,1H3,(H,25,28)
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21n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208966
PNG
(CHEMBL390545 | rac-2-(2-chlorophenyl)-1-(4-chlorop...)
Show SMILES O[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23-/m0/s1
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22n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208965
PNG
(CHEMBL389198 | rac-1-(4-chlorophenyl)-2-(2,4-dichl...)
Show SMILES OC1CCCCC1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl3N3O2/c23-13-5-8-15(9-6-13)28-12-19(22(30)27-18-3-1-2-4-20(18)29)26-21(28)16-10-7-14(24)11-17(16)25/h5-12,18,20,29H,1-4H2,(H,27,30)
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22n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208954
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2,5-dichlorophe...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-12-15(24)8-11-19(18)25/h6-13,16H,1-5H2,(H,26,29)
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25n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208952
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m0/s1
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29n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208977
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O2/c23-14-9-11-15(12-10-14)27-13-19(22(29)26-18-7-3-4-8-20(18)28)25-21(27)16-5-1-2-6-17(16)24/h1-2,5-6,9-13,18,20,28H,3-4,7-8H2,(H,26,29)/t18-,20-/m0/s1
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29n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208947
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...)
Show SMILES CN(C1CCCCC1)C(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl2N3O/c1-27(17-7-3-2-4-8-17)23(29)21-15-28(18-13-11-16(24)12-14-18)22(26-21)19-9-5-6-10-20(19)25/h5-6,9-15,17H,2-4,7-8H2,1H3
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34n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208958
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-difluorophe...)
Show SMILES Fc1ccc(-c2nc(cn2-c2ccc(Cl)cc2)C(=O)NC2CCCCC2)c(F)c1
Show InChI InChI=1S/C22H20ClF2N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
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36n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208960
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2-ethylphenyl)-...)
Show SMILES CCc1ccccc1-c1nc(cn1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H26ClN3O/c1-2-17-8-6-7-11-21(17)23-27-22(24(29)26-19-9-4-3-5-10-19)16-28(23)20-14-12-18(25)13-15-20/h6-8,11-16,19H,2-5,9-10H2,1H3,(H,26,29)
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39n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208959
PNG
(CHEMBL230583 | rac-2-(2-chlorophenyl)-1-(4-chlorop...)
Show SMILES O[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-22(28-24(30)19-7-3-4-8-20(19)27)25(32)29-21-13-15-5-1-2-6-18(15)23(21)31/h1-12,14,21,23,31H,13H2,(H,29,32)/t21-,23-/m0/s1
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41n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208984
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1R,2R)-2...)
Show SMILES O[C@@H]1CCC[C@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m1/s1
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75n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208980
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2-methoxyphenyl...)
Show SMILES COc1ccccc1-c1nc(cn1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-29-21-10-6-5-9-19(21)22-26-20(23(28)25-17-7-3-2-4-8-17)15-27(22)18-13-11-16(24)12-14-18/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28)
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95n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208963
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1R,2R)-2...)
Show SMILES O[C@@H]1CCCC[C@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O2/c23-14-9-11-15(12-10-14)27-13-19(22(29)26-18-7-3-4-8-20(18)28)25-21(27)16-5-1-2-6-17(16)24/h1-2,5-6,9-13,18,20,28H,3-4,7-8H2,(H,26,29)/t18-,20-/m1/s1
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97n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208950
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-phenyl-1H-imidaz...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H22ClN3O/c23-17-11-13-19(14-12-17)26-15-20(22(27)24-18-9-5-2-6-10-18)25-21(26)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H,24,27)
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130n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50140237
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
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240n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208953
PNG
(CHEMBL229858 | N-((1S,2S)-2-aminocyclohexyl)-1-(4-...)
Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl3N4O/c23-13-5-8-15(9-6-13)29-12-20(22(30)28-19-4-2-1-3-18(19)26)27-21(29)16-10-7-14(24)11-17(16)25/h5-12,18-19H,1-4,26H2,(H,28,30)/t18-,19-/m0/s1
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270n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208957
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-((1S,2...)
Show SMILES CN[C@H]1CCCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl3N4O/c1-27-19-4-2-3-5-20(19)29-23(31)21-13-30(16-9-6-14(24)7-10-16)22(28-21)17-11-8-15(25)12-18(17)26/h6-13,19-20,27H,2-5H2,1H3,(H,29,31)/t19-,20-/m0/s1
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620n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208962
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-((1R,2...)
Show SMILES CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl3N4O/c1-27-19-4-2-3-5-20(19)29-23(31)21-13-30(16-9-6-14(24)7-10-16)22(28-21)17-11-8-15(25)12-18(17)26/h6-13,19-20,27H,2-5H2,1H3,(H,29,31)/t19-,20-/m1/s1
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920n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208983
PNG
(CHEMBL388987 | N-((1R,2R)-2-aminocyclohexyl)-1-(4-...)
Show SMILES N[C@@H]1CCCC[C@H]1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl3N4O/c23-13-5-8-15(9-6-13)29-12-20(22(30)28-19-4-2-1-3-18(19)26)27-21(29)16-10-7-14(24)11-17(16)25/h5-12,18-19H,1-4,26H2,(H,28,30)/t18-,19-/m1/s1
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940n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208961
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-o-tolyl-1H-imida...)
Show SMILES Cc1ccccc1-c1nc(cn1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O/c1-16-7-5-6-10-20(16)22-26-21(23(28)25-18-8-3-2-4-9-18)15-27(22)19-13-11-17(24)12-14-19/h5-7,10-15,18H,2-4,8-9H2,1H3,(H,25,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50208981
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-(pyridin-3-yl)-1...)
Show SMILES Clc1ccccc1-c1nc(cn1-c1cccnc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H21ClN4O/c22-18-11-5-4-10-17(18)20-25-19(14-26(20)16-9-6-12-23-13-16)21(27)24-15-7-2-1-3-8-15/h4-6,9-15H,1-3,7-8H2,(H,24,27)
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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]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208965
PNG
(CHEMBL389198 | rac-1-(4-chlorophenyl)-2-(2,4-dichl...)
Show SMILES OC1CCCCC1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl3N3O2/c23-13-5-8-15(9-6-13)28-12-19(22(30)27-18-3-1-2-4-20(18)29)26-21(28)16-10-7-14(24)11-17(16)25/h5-12,18,20,29H,1-4H2,(H,27,30)
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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]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208969
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2R)-2...)
Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208948
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)
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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208968
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C24H25Cl2N3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208972
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES CCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208975
PNG
(1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208979
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1R,2S)-2...)
Show SMILES O[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208977
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H21Cl2N3O2/c23-14-9-11-15(12-10-14)27-13-19(22(29)26-18-7-3-4-8-20(18)28)25-21(27)16-5-1-2-6-17(16)24/h1-2,5-6,9-13,18,20,28H,3-4,7-8H2,(H,26,29)/t18-,20-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50208952
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%