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PubMed code 17293109

Compile data set for download or QSAR
Found 69 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))
BDBM50205166
PNG
(CHEMBL231636 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cncc(c1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-23-13-21(15-33-16-23)27(29,30)31)24(12-18-7-9-22(28)10-8-18)20-6-4-5-19(11-20)14-32/h4-11,13,15-17,24H,12H2,1-3H3,(H,34,35)/t17-,24+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50205167
PNG
(CHEMBL230717 | biphenyl-3-sulfonic acid [(1S,2S)-3...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-12-6-10-25(19-28)24-8-3-2-4-9-24)29(18-22-13-15-27(30)16-14-22)26-11-5-7-23(17-26)20-31/h2-17,19,21,29,32H,18H2,1H3/t21-,29+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat CB1 receptor


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205167
PNG
(CHEMBL230717 | biphenyl-3-sulfonic acid [(1S,2S)-3...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-12-6-10-25(19-28)24-8-3-2-4-9-24)29(18-22-13-15-27(30)16-14-22)26-11-5-7-23(17-26)20-31/h2-17,19,21,29,32H,18H2,1H3/t21-,29+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205164
PNG
(CHEMBL230715 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H19ClF6N2O2S/c1-15(23(10-16-5-7-21(26)8-6-16)18-4-2-3-17(9-18)14-33)34-37(35,36)22-12-19(24(27,28)29)11-20(13-22)25(30,31)32/h2-9,11-13,15,23,34H,10H2,1H3/t15-,23+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205181
PNG
(CHEMBL230716 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19ClF2N2O2S/c1-15(28-31(29,30)22-12-20(25)11-21(26)13-22)23(10-16-5-7-19(24)8-6-16)18-4-2-3-17(9-18)14-27/h2-9,11-13,15,23,28H,10H2,1H3/t15-,23+/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
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 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205160
PNG
(2,4-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-10-9-20(25)13-22(23)26)21(12-16-5-7-19(24)8-6-16)18-4-2-3-17(11-18)14-27/h2-11,13,15,21,28H,12H2,1H3/t15-,21+/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205172
PNG
(2,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-13-20(25)9-10-22(23)26)21(12-16-5-7-19(24)8-6-16)18-4-2-3-17(11-18)14-27/h2-11,13,15,21,28H,12H2,1H3/t15-,21+/m0/s1
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n/an/a 7.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205177
PNG
(CHEMBL397243 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H21ClN2O2S/c1-17(26-29(27,28)22-8-3-2-4-9-22)23(15-18-10-12-21(24)13-11-18)20-7-5-6-19(14-20)16-25/h2-14,17,23,26H,15H2,1H3/t17-,23+/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205176
PNG
(2,3-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)22-7-3-6-21(25)23(22)26)20(13-16-8-10-19(24)11-9-16)18-5-2-4-17(12-18)14-27/h2-12,15,20,28H,13H2,1H3/t15-,20+/m0/s1
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n/an/a 10.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205179
PNG
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)22-12-20(25)11-21(26)13-22)23(10-16-5-7-19(24)8-6-16)18-4-2-3-17(9-18)14-27/h2-9,11-13,15,23,28H,10H2,1H3/t15-,23+/m0/s1
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n/an/a 11.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205183
PNG
(2-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)23-8-3-2-7-22(23)25)21(14-17-9-11-20(24)12-10-17)19-6-4-5-18(13-19)15-26/h2-13,16,21,27H,14H2,1H3/t16-,21+/m0/s1
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n/an/a 12.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205189
PNG
(3-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)22-7-3-6-21(25)14-22)23(13-17-8-10-20(24)11-9-17)19-5-2-4-18(12-19)15-26/h2-12,14,16,23,27H,13H2,1H3/t16-,23+/m0/s1
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n/an/a 13.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205185
PNG
(CHEMBL389353 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H23ClN2O2S/c1-19(30-33(31,32)26-14-11-22-6-2-3-7-23(22)17-26)27(16-20-9-12-25(28)13-10-20)24-8-4-5-21(15-24)18-29/h2-15,17,19,27,30H,16H2,1H3/t19-,27+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205174
PNG
((4-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-19-7-11-23(26)12-8-19)24(14-18-5-9-22(25)10-6-18)21-4-2-3-20(13-21)15-27/h2-13,17,24,28H,14,16H2,1H3/t17-,24+/m0/s1
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n/an/a 15.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205165
PNG
((2-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-21-6-2-3-8-24(21)26)23(14-18-9-11-22(25)12-10-18)20-7-4-5-19(13-20)15-27/h2-13,17,23,28H,14,16H2,1H3/t17-,23+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205161
PNG
(2,4,5-trichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H18Cl4N2O2S/c1-14(29-32(30,31)23-12-21(26)20(25)11-22(23)27)19(10-15-5-7-18(24)8-6-15)17-4-2-3-16(9-17)13-28/h2-9,11-12,14,19,29H,10H2,1H3/t14-,19+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205173
PNG
(CHEMBL231241 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)CCc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H25ClN2O2S/c1-19(28-31(29,30)15-14-20-6-3-2-4-7-20)25(17-21-10-12-24(26)13-11-21)23-9-5-8-22(16-23)18-27/h2-13,16,19,25,28H,14-15,17H2,1H3/t19-,25+/m0/s1
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n/an/a 19.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205184
PNG
(CHEMBL230927 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H23ClN2O2S/c1-18(27-30(28,29)17-20-6-3-2-4-7-20)24(15-19-10-12-23(25)13-11-19)22-9-5-8-21(14-22)16-26/h2-14,18,24,27H,15,17H2,1H3/t18-,24+/m0/s1
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n/an/a 20.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205186
PNG
(CHEMBL230826 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc2ccccc12)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H23ClN2O2S/c1-19(30-33(31,32)27-11-5-8-22-7-2-3-10-25(22)27)26(17-20-12-14-24(28)15-13-20)23-9-4-6-21(16-23)18-29/h2-16,19,26,30H,17H2,1H3/t19-,26+/m0/s1
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n/an/a 21.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205188
PNG
(4-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)22-11-9-21(25)10-12-22)23(14-17-5-7-20(24)8-6-17)19-4-2-3-18(13-19)15-26/h2-13,16,23,27H,14H2,1H3/t16-,23+/m0/s1
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n/an/a 21.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205159
PNG
(CHEMBL230825 | biphenyl-4-sulfonic acid [(1S,2S)-3...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-16-12-25(13-17-28)24-7-3-2-4-8-24)29(19-22-10-14-27(30)15-11-22)26-9-5-6-23(18-26)20-31/h2-18,21,29,32H,19H2,1H3/t21-,29+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205169
PNG
(2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-21(25)6-3-7-22(23)26)20(13-16-8-10-19(24)11-9-16)18-5-2-4-17(12-18)14-27/h2-12,15,20,28H,13H2,1H3/t15-,20+/m0/s1
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n/an/a 29.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205175
PNG
(2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H19Cl3N2O/c1-15(29-24(30)23-21(26)6-3-7-22(23)27)20(13-16-8-10-19(25)11-9-16)18-5-2-4-17(12-18)14-28/h2-12,15,20H,13H2,1H3,(H,29,30)/t15-,20+/m0/s1
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n/an/a 37.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205163
PNG
(CHEMBL231245 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)CCc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H25ClN2O/c1-19(29-26(30)15-12-20-6-3-2-4-7-20)25(17-21-10-13-24(27)14-11-21)23-9-5-8-22(16-23)18-28/h2-11,13-14,16,19,25H,12,15,17H2,1H3,(H,29,30)/t19-,25+/m0/s1
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n/an/a 38.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205187
PNG
((E)-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl...)
Show SMILES C[C@H](NS(=O)(=O)\C=C\c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H23ClN2O2S/c1-19(28-31(29,30)15-14-20-6-3-2-4-7-20)25(17-21-10-12-24(26)13-11-21)23-9-5-8-22(16-23)18-27/h2-16,19,25,28H,17H2,1H3/b15-14+/t19-,25+/m0/s1
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n/an/a 41.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205157
PNG
(CHEMBL230294 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)Cc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H23ClN2O/c1-18(28-25(29)16-19-6-3-2-4-7-19)24(15-20-10-12-23(26)13-11-20)22-9-5-8-21(14-22)17-27/h2-14,18,24H,15-16H2,1H3,(H,28,29)/t18-,24+/m0/s1
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n/an/a 44.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205168
PNG
((3-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)
Show SMILES C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-20-5-3-7-23(26)13-20)24(14-18-8-10-22(25)11-9-18)21-6-2-4-19(12-21)15-27/h2-13,17,24,28H,14,16H2,1H3/t17-,24+/m0/s1
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n/an/a 53.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205182
PNG
(CHEMBL230181 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H25ClN2O2S/c1-3-4-12-27(25,26)24-16(2)21(14-17-8-10-20(22)11-9-17)19-7-5-6-18(13-19)15-23/h5-11,13,16,21,24H,3-4,12,14H2,1-2H3/t16-,21+/m0/s1
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n/an/a 75.2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205162
PNG
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H19Cl3N2O/c1-15(29-24(30)19-11-21(26)13-22(27)12-19)23(10-16-5-7-20(25)8-6-16)18-4-2-3-17(9-18)14-28/h2-9,11-13,15,23H,10H2,1H3,(H,29,30)/t15-,23+/m0/s1
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n/an/a 181n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205176
PNG
(2,3-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)22-7-3-6-21(25)23(22)26)20(13-16-8-10-19(24)11-9-16)18-5-2-4-17(12-18)14-27/h2-12,15,20,28H,13H2,1H3/t15-,20+/m0/s1
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n/an/a 202n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205162
PNG
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H19Cl3N2O/c1-15(29-24(30)19-11-21(26)13-22(27)12-19)23(10-16-5-7-20(25)8-6-16)18-4-2-3-17(9-18)14-28/h2-9,11-13,15,23H,10H2,1H3,(H,29,30)/t15-,23+/m0/s1
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n/an/a 282n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205169
PNG
(2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-21(25)6-3-7-22(23)26)20(13-16-8-10-19(24)11-9-16)18-5-2-4-17(12-18)14-27/h2-12,15,20,28H,13H2,1H3/t15-,20+/m0/s1
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n/an/a 284n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205166
PNG
(CHEMBL231636 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cncc(c1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-23-13-21(15-33-16-23)27(29,30)31)24(12-18-7-9-22(28)10-8-18)20-6-4-5-19(11-20)14-32/h4-11,13,15-17,24H,12H2,1-3H3,(H,34,35)/t17-,24+/m0/s1
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n/an/a 285n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205160
PNG
(2,4-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-10-9-20(25)13-22(23)26)21(12-16-5-7-19(24)8-6-16)18-4-2-3-17(11-18)14-27/h2-11,13,15,21,28H,12H2,1H3/t15-,21+/m0/s1
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n/an/a 301n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205167
PNG
(CHEMBL230717 | biphenyl-3-sulfonic acid [(1S,2S)-3...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-12-6-10-25(19-28)24-8-3-2-4-9-24)29(18-22-13-15-27(30)16-14-22)26-11-5-7-23(17-26)20-31/h2-17,19,21,29,32H,18H2,1H3/t21-,29+/m0/s1
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n/an/a 394n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205159
PNG
(CHEMBL230825 | biphenyl-4-sulfonic acid [(1S,2S)-3...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-16-12-25(13-17-28)24-7-3-2-4-8-24)29(19-22-10-14-27(30)15-11-22)26-9-5-6-23(18-26)20-31/h2-18,21,29,32H,19H2,1H3/t21-,29+/m0/s1
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n/an/a 406n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205188
PNG
(4-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)22-11-9-21(25)10-12-22)23(14-17-5-7-20(24)8-6-17)19-4-2-3-18(13-19)15-26/h2-13,16,23,27H,14H2,1H3/t16-,23+/m0/s1
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n/an/a 454n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205172
PNG
(2,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-13-20(25)9-10-22(23)26)21(12-16-5-7-19(24)8-6-16)18-4-2-3-17(11-18)14-27/h2-11,13,15,21,28H,12H2,1H3/t15-,21+/m0/s1
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n/an/a 498n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
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 603n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205161
PNG
(2,4,5-trichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H18Cl4N2O2S/c1-14(29-32(30,31)23-12-21(26)20(25)11-22(23)27)19(10-15-5-7-18(24)8-6-15)17-4-2-3-16(9-17)13-28/h2-9,11-12,14,19,29H,10H2,1H3/t14-,19+/m0/s1
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n/an/a 622n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205183
PNG
(2-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)23-8-3-2-7-22(23)25)21(14-17-9-11-20(24)12-10-17)19-6-4-5-18(13-19)15-26/h2-13,16,21,27H,14H2,1H3/t16-,21+/m0/s1
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n/an/a 668n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205189
PNG
(3-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)22-7-3-6-21(25)14-22)23(13-17-8-10-20(24)11-9-17)19-5-2-4-18(12-19)15-26/h2-12,14,16,23,27H,13H2,1H3/t16-,23+/m0/s1
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n/an/a 808n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205178
PNG
(CHEMBL231642 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H21ClN2O/c1-17(27-24(28)20-7-3-2-4-8-20)23(15-18-10-12-22(25)13-11-18)21-9-5-6-19(14-21)16-26/h2-14,17,23H,15H2,1H3,(H,27,28)/t17-,23+/m0/s1
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n/an/a 845n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205173
PNG
(CHEMBL231241 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)CCc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H25ClN2O2S/c1-19(28-31(29,30)15-14-20-6-3-2-4-7-20)25(17-21-10-12-24(26)13-11-21)23-9-5-8-22(16-23)18-27/h2-13,16,19,25,28H,14-15,17H2,1H3/t19-,25+/m0/s1
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n/an/a 904n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205175
PNG
(2,6-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H19Cl3N2O/c1-15(29-24(30)23-21(26)6-3-7-22(23)27)20(13-16-8-10-19(25)11-9-16)18-5-2-4-17(12-18)14-28/h2-12,15,20H,13H2,1H3,(H,29,30)/t15-,20+/m0/s1
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n/an/a 945n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205179
PNG
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)22-12-20(25)11-21(26)13-22)23(10-16-5-7-19(24)8-6-16)18-4-2-3-17(9-18)14-27/h2-9,11-13,15,23,28H,10H2,1H3/t15-,23+/m0/s1
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n/an/a 998n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205187
PNG
((E)-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl...)
Show SMILES C[C@H](NS(=O)(=O)\C=C\c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H23ClN2O2S/c1-19(28-31(29,30)15-14-20-6-3-2-4-7-20)25(17-21-10-12-24(26)13-11-21)23-9-5-8-22(16-23)18-27/h2-16,19,25,28H,17H2,1H3/b15-14+/t19-,25+/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205181
PNG
(CHEMBL230716 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H19ClF2N2O2S/c1-15(28-31(29,30)22-12-20(25)11-21(26)13-22)23(10-16-5-7-19(24)8-6-16)18-4-2-3-17(9-18)14-27/h2-9,11-13,15,23,28H,10H2,1H3/t15-,23+/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205185
PNG
(CHEMBL389353 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H23ClN2O2S/c1-19(30-33(31,32)26-14-11-22-6-2-3-7-23(22)17-26)27(16-20-9-12-25(28)13-10-20)24-8-4-5-21(15-24)18-29/h2-15,17,19,27,30H,16H2,1H3/t19-,27+/m0/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205186
PNG
(CHEMBL230826 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1cccc2ccccc12)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C27H23ClN2O2S/c1-19(30-33(31,32)27-11-5-8-22-7-2-3-10-25(22)27)26(17-20-12-14-24(28)15-13-20)23-9-4-6-21(16-23)18-29/h2-16,19,26,30H,17H2,1H3/t19-,26+/m0/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205163
PNG
(CHEMBL231245 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)CCc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C26H25ClN2O/c1-19(29-26(30)15-12-20-6-3-2-4-7-20)25(17-21-10-13-24(27)14-11-21)23-9-5-8-22(16-23)18-28/h2-11,13-14,16,19,25H,12,15,17H2,1H3,(H,29,30)/t19-,25+/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205182
PNG
(CHEMBL230181 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES CCCCS(=O)(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H25ClN2O2S/c1-3-4-12-27(25,26)24-16(2)21(14-17-8-10-20(22)11-9-17)19-7-5-6-18(13-19)15-23/h5-11,13,16,21,24H,3-4,12,14H2,1-2H3/t16-,21+/m0/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205177
PNG
(CHEMBL397243 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C23H21ClN2O2S/c1-17(26-29(27,28)22-8-3-2-4-9-22)23(15-18-10-12-21(24)13-11-18)20-7-5-6-19(14-20)16-25/h2-14,17,23,26H,15H2,1H3/t17-,23+/m0/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205171
PNG
(CHEMBL230182 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H25ClN2O2S/c1-15(24-27(25,26)21(2,3)4)20(13-16-8-10-19(22)11-9-16)18-7-5-6-17(12-18)14-23/h5-12,15,20,24H,13H2,1-4H3/t15-,20+/m0/s1
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n/an/a 1.68E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205164
PNG
(CHEMBL230715 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H19ClF6N2O2S/c1-15(23(10-16-5-7-21(26)8-6-16)18-4-2-3-17(9-18)14-33)34-37(35,36)22-12-19(24(27,28)29)11-20(13-22)25(30,31)32/h2-9,11-13,15,23,34H,10H2,1H3/t15-,23+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205174
PNG
((4-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-19-7-11-23(26)12-8-19)24(14-18-5-9-22(25)10-6-18)21-4-2-3-20(13-21)15-27/h2-13,17,24,28H,14,16H2,1H3/t17-,24+/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205178
PNG
(CHEMBL231642 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H21ClN2O/c1-17(27-24(28)20-7-3-2-4-8-20)23(15-18-10-12-22(25)13-11-18)21-9-5-6-19(14-21)16-26/h2-14,17,23H,15H2,1H3,(H,27,28)/t17-,23+/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205165
PNG
((2-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-21-6-2-3-8-24(21)26)23(14-18-9-11-22(25)12-10-18)20-7-4-5-19(13-20)15-27/h2-13,17,23,28H,14,16H2,1H3/t17-,23+/m0/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205170
PNG
(CHEMBL230067 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@@H]([C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N)N(C)S(C)(=O)=O
Show InChI InChI=1S/C19H21ClN2O2S/c1-14(22(2)25(3,23)24)19(12-15-7-9-18(20)10-8-15)17-6-4-5-16(11-17)13-21/h4-11,14,19H,12H2,1-3H3/t14-,19+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205168
PNG
((3-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)
Show SMILES C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-20-5-3-7-23(26)13-20)24(14-18-8-10-22(25)11-9-18)21-6-2-4-19(12-21)15-27/h2-13,17,24,28H,14,16H2,1H3/t17-,24+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205158
PNG
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@@H]([C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H21Cl3N2O2S/c1-16(29(2)32(30,31)23-13-21(26)12-22(27)14-23)24(11-17-6-8-20(25)9-7-17)19-5-3-4-18(10-19)15-28/h3-10,12-14,16,24H,11H2,1-2H3/t16-,24+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205184
PNG
(CHEMBL230927 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C24H23ClN2O2S/c1-18(27-30(28,29)17-20-6-3-2-4-7-20)24(15-19-10-12-23(25)13-11-19)22-9-5-8-21(14-22)16-26/h2-14,18,24,27H,15,17H2,1H3/t18-,24+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205171
PNG
(CHEMBL230182 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(=O)(=O)C(C)(C)C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C21H25ClN2O2S/c1-15(24-27(25,26)21(2,3)4)20(13-16-8-10-19(22)11-9-16)18-7-5-6-17(12-18)14-23/h5-12,15,20,24H,13H2,1-4H3/t15-,20+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205158
PNG
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)
Show SMILES C[C@@H]([C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H21Cl3N2O2S/c1-16(29(2)32(30,31)23-13-21(26)12-22(27)14-23)24(11-17-6-8-20(25)9-7-17)19-5-3-4-18(10-19)15-28/h3-10,12-14,16,24H,11H2,1-2H3/t16-,24+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205170
PNG
(CHEMBL230067 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@@H]([C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N)N(C)S(C)(=O)=O
Show InChI InChI=1S/C19H21ClN2O2S/c1-14(22(2)25(3,23)24)19(12-15-7-9-18(20)10-8-15)17-6-4-5-16(11-17)13-21/h4-11,14,19H,12H2,1-3H3/t14-,19+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205180
PNG
(CHEMBL397690 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(C)(=O)=O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H19ClN2O2S/c1-13(21-24(2,22)23)18(11-14-6-8-17(19)9-7-14)16-5-3-4-15(10-16)12-20/h3-10,13,18,21H,11H2,1-2H3/t13-,18+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50205157
PNG
(CHEMBL230294 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NC(=O)Cc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C25H23ClN2O/c1-18(28-25(29)16-19-6-3-2-4-7-19)24(15-20-10-12-23(26)13-11-20)22-9-5-8-21(14-22)17-27/h2-14,18,24H,15-16H2,1H3,(H,28,29)/t18-,24+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50205180
PNG
(CHEMBL397690 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)
Show SMILES C[C@H](NS(C)(=O)=O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N
Show InChI InChI=1S/C18H19ClN2O2S/c1-13(21-24(2,22)23)18(11-14-6-8-17(19)9-7-14)16-5-3-4-15(10-16)12-20/h3-10,13,18,21H,11H2,1-2H3/t13-,18+/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 2184-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.087
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%