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PubMed code 19530697

Compile data set for download or QSAR
Found 59 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))
BDBM50279126
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 6.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279166
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279205
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33)
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n/an/a 12.3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279086
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 12.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
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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n/an/a 13.2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279204
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32)
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n/an/a 14.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279125
PNG
(2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3
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n/an/a 15.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279123
PNG
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-et...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21BrCl2N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 16.3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279203
PNG
(6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31)
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n/an/a 22.8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279202
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:25|
Show InChI InChI=1S/C22H19Cl3N4O/c1-4-15-18(20-26-21(30)22(2,3)27-20)28-29(17-10-9-14(24)11-16(17)25)19(15)12-5-7-13(23)8-6-12/h5-11H,4H2,1-3H3,(H,26,27,30)
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n/an/a 32.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279239
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(C)(C)C1=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-22(2,3)21(30)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 33.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279240
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-23(2,3)22(31)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 33.8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279167
PNG
(2-[4-Bromo-5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1Br)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C21H16BrCl3N4O/c1-21(2)20(30)26-19(28(21)3)17-16(22)18(11-4-6-12(23)7-5-11)29(27-17)15-9-8-13(24)10-14(15)25/h4-10H,1-3H3
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n/an/a 42.5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279168
PNG
(2-[5-(4-Chloro-phenyl)-4-cyclopropyl-1-(2,4-dichlo...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C1CC1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C24H21Cl3N4O/c1-24(2)23(32)28-22(30(24)3)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(29-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3
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n/an/a 43.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279087
PNG
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-me...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19BrCl2N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 47.4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279169
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:24|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-17(19-25-20(29)21(2,3)26-19)27-28(16-9-8-14(23)10-15(16)24)18(11)12-4-6-13(22)7-5-12/h4-10H,1-3H3,(H,25,26,29)
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n/an/a 53.4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279010
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 54.7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279009
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-(di...)
Show SMILES CN(C)C(C)(C)C(=O)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H23Cl3N4O2/c1-13-19(21(31)27-22(32)23(2,3)29(4)5)28-30(18-11-10-16(25)12-17(18)26)20(13)14-6-8-15(24)9-7-14/h6-12H,1-5H3,(H,27,31,32)
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n/an/a 82.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279049
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C1CC1 |t:24|
Show InChI InChI=1S/C24H21Cl3N4O/c1-13-20(22-28-23(32)24(2,3)30(22)17-9-10-17)29-31(19-11-8-16(26)12-18(19)27)21(13)14-4-6-15(25)7-5-14/h4-8,11-12,17H,9-10H2,1-3H3
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n/an/a 95.2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279011
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:3|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-29-21(27-22(31)23(29,3)4)19-13(2)20(14-6-8-15(24)9-7-14)30(28-19)18-11-10-16(25)12-17(18)26/h6-12H,5H2,1-4H3
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n/an/a 107n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279084
PNG
(1-Benzyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-ph...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1Cc1ccccc1 |t:24|
Show InChI InChI=1S/C28H23Cl3N4O/c1-17-24(26-32-27(36)28(2,3)34(26)16-18-7-5-4-6-8-18)33-35(23-14-13-21(30)15-22(23)31)25(17)19-9-11-20(29)12-10-19/h4-15H,16H2,1-3H3
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n/an/a 197n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279124
PNG
(2-[1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-...)
Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H22Cl2N4O2/c1-13-19(21-26-22(30)23(2,3)28(21)4)27-29(18-11-8-15(24)12-17(18)25)20(13)14-6-9-16(31-5)10-7-14/h6-12H,1-5H3
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n/an/a 212n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279048
PNG
(1-Allyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1CC=C |t:24|
Show InChI InChI=1S/C24H21Cl3N4O/c1-5-12-30-22(28-23(32)24(30,3)4)20-14(2)21(15-6-8-16(25)9-7-15)31(29-20)19-11-10-17(26)13-18(19)27/h5-11,13H,1,12H2,2-4H3
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n/an/a 249n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279085
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C21H17Cl3N4O/c1-21(2)20(29)25-19(27(21)3)16-11-18(12-4-6-13(22)7-5-12)28(26-16)17-9-8-14(23)10-15(17)24/h4-11H,1-3H3
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n/an/a 325n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279010
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 487n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279205
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33)
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n/an/a 497n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279123
PNG
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-et...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21BrCl2N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 768n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279168
PNG
(2-[5-(4-Chloro-phenyl)-4-cyclopropyl-1-(2,4-dichlo...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C1CC1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C24H21Cl3N4O/c1-24(2)23(32)28-22(30(24)3)20-19(13-4-5-13)21(14-6-8-15(25)9-7-14)31(29-20)18-11-10-16(26)12-17(18)27/h6-13H,4-5H2,1-3H3
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n/an/a 822n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279046
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CCCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:4|
Show InChI InChI=1S/C24H23Cl3N4O/c1-5-12-30-22(28-23(32)24(30,3)4)20-14(2)21(15-6-8-16(25)9-7-15)31(29-20)19-11-10-17(26)13-18(19)27/h6-11,13H,5,12H2,1-4H3
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n/an/a 854n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279126
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 901n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279124
PNG
(2-[1-(2,4-Dichloro-phenyl)-5-(4-methoxy-phenyl)-4-...)
Show SMILES COc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H22Cl2N4O2/c1-13-19(21-26-22(30)23(2,3)28(21)4)27-29(18-11-8-15(24)12-17(18)25)20(13)14-6-9-16(31-5)10-7-14/h6-12H,1-5H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279087
PNG
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-me...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19BrCl2N4O/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279047
PNG
(1-Butyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)
Show SMILES CCCCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:5|
Show InChI InChI=1S/C25H25Cl3N4O/c1-5-6-13-31-23(29-24(33)25(31,3)4)21-15(2)22(16-7-9-17(26)10-8-16)32(30-21)20-12-11-18(27)14-19(20)28/h7-12,14H,5-6,13H2,1-4H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279011
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:3|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-29-21(27-22(31)23(29,3)4)19-13(2)20(14-6-8-15(24)9-7-14)30(28-19)18-11-10-16(25)12-17(18)26/h6-12H,5H2,1-4H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279204
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32)
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n/an/a 1.37E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279167
PNG
(2-[4-Bromo-5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1Br)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C21H16BrCl3N4O/c1-21(2)20(30)26-19(28(21)3)17-16(22)18(11-4-6-12(23)7-5-11)29(27-17)15-9-8-13(24)10-14(15)25/h4-10H,1-3H3
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n/an/a 1.57E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
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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n/an/a 1.63E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279049
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C1CC1 |t:24|
Show InChI InChI=1S/C24H21Cl3N4O/c1-13-20(22-28-23(32)24(2,3)30(22)17-9-10-17)29-31(19-11-8-16(26)12-18(19)27)21(13)14-4-6-15(25)7-5-14/h4-8,11-12,17H,9-10H2,1-3H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279086
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 2.74E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279048
PNG
(1-Allyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1CC=C |t:24|
Show InChI InChI=1S/C24H21Cl3N4O/c1-5-12-30-22(28-23(32)24(30,3)4)20-14(2)21(15-6-8-16(25)9-7-15)31(29-20)19-11-10-17(26)13-18(19)27/h5-11,13H,1,12H2,2-4H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279203
PNG
(6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31)
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Article
PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279239
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(C)(C)C1=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4O/c1-12-18(20-26-22(2,3)21(30)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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PubMed
n/an/a 3.25E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279169
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:24|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-17(19-25-20(29)21(2,3)26-19)27-28(16-9-8-14(23)10-15(16)24)18(11)12-4-6-13(22)7-5-12/h4-10H,1-3H3,(H,25,26,29)
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PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279125
PNG
(2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3
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n/an/a 3.97E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279240
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-23(2,3)22(31)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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PubMed
n/an/a 4.33E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279166
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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PubMed
n/an/a 4.75E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279047
PNG
(1-Butyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phe...)
Show SMILES CCCCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:5|
Show InChI InChI=1S/C25H25Cl3N4O/c1-5-6-13-31-23(29-24(33)25(31,3)4)21-15(2)22(16-7-9-17(26)10-8-16)32(30-21)20-12-11-18(27)14-19(20)28/h7-12,14H,5-6,13H2,1-4H3
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PubMed
n/an/a 4.76E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279084
PNG
(1-Benzyl-2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-ph...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1Cc1ccccc1 |t:24|
Show InChI InChI=1S/C28H23Cl3N4O/c1-17-24(26-32-27(36)28(2,3)34(26)16-18-7-5-4-6-8-18)33-35(23-14-13-21(30)15-22(23)31)25(17)19-9-11-20(29)12-10-19/h4-15H,16H2,1-3H3
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PubMed
n/an/a 5.13E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279046
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CCCN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:4|
Show InChI InChI=1S/C24H23Cl3N4O/c1-5-12-30-22(28-23(32)24(30,3)4)20-14(2)21(15-6-8-16(25)9-7-15)31(29-20)19-11-10-17(26)13-18(19)27/h6-11,13H,5,12H2,1-4H3
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PubMed
n/an/a 5.51E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279085
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C21H17Cl3N4O/c1-21(2)20(29)25-19(27(21)3)16-11-18(12-4-6-13(22)7-5-12)28(26-16)17-9-8-14(23)10-15(17)24/h4-11H,1-3H3
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n/an/a 7.95E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50279202
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:25|
Show InChI InChI=1S/C22H19Cl3N4O/c1-4-15-18(20-26-21(30)22(2,3)27-20)28-29(17-10-9-14(24)11-16(17)25)19(15)12-5-7-13(23)8-6-12/h5-11H,4H2,1-3H3,(H,26,27,30)
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PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279203
PNG
(6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31)
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n/an/an/an/a 12.3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279166
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/an/an/a 5.10n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279086
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/an/an/a 9.80n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279125
PNG
(2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3
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n/an/an/an/a 81n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279126
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/an/an/a 8.5n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
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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n/an/an/an/a 15.7n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279240
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-23(2,3)22(31)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/an/an/a 65.5n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279202
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:25|
Show InChI InChI=1S/C22H19Cl3N4O/c1-4-15-18(20-26-21(30)22(2,3)27-20)28-29(17-10-9-14(24)11-16(17)25)19(15)12-5-7-13(23)8-6-12/h5-11H,4H2,1-3H3,(H,26,27,30)
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n/an/an/an/a 20.2n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in HEK293 cells assessed as inhibition of CP55940-stimulated Eu-GTP binding


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%