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PubMed code 20018510

Compile data set for download or QSAR
Found 73 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))
BDBM50309061
PNG
(CHEMBL591541 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C28H25Cl3N2O2S/c29-21-9-12-23(13-10-21)33-18-19(8-15-27(33)25-14-11-22(30)16-26(25)31)17-32-36(34,35)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,9-14,16,19,27,32H,8,15,17-18H2/t19-,27-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
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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2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309042
PNG
(CHEMBL589985 | N-(2-(1-(4-chlorophenyl)-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1CC(CCNS(=O)(=O)C2CC2)CCC1c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2
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3.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309047
PNG
(CHEMBL591352 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2/t15-,22-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309046
PNG
(CHEMBL591994 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H24Cl3N3O2S/c27-20-4-7-22(8-5-20)32-17-19(3-12-26(32)24-11-6-21(28)15-25(24)29)13-14-31-35(33,34)23-9-1-18(16-30)2-10-23/h1-2,4-11,15,19,26,31H,3,12-14,17H2/t19-,26-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309049
PNG
(CHEMBL591542 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H22Cl3N3O/c27-20-6-9-22(10-7-20)32-16-18(3-12-25(32)23-11-8-21(28)13-24(23)29)15-31-26(33)19-4-1-17(14-30)2-5-19/h1-2,4-11,13,18,25H,3,12,15-16H2,(H,31,33)/t18-,25-/m0/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309043
PNG
(CHEMBL591067 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C27H24Cl3N3O/c28-21-6-9-23(10-7-21)33-17-19(3-12-26(33)24-11-8-22(29)15-25(24)30)13-14-32-27(34)20-4-1-18(16-31)2-5-20/h1-2,4-11,15,19,26H,3,12-14,17H2,(H,32,34)/t19-,26-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309045
PNG
(CHEMBL603529 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2/t17-,24-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309050
PNG
(CHEMBL591540 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H22Cl3N3O2S/c24-17-4-7-19(8-5-17)29-15-16(13-28-32(30,31)20-2-1-11-27-14-20)3-10-23(29)21-9-6-18(25)12-22(21)26/h1-2,4-9,11-12,14,16,23,28H,3,10,13,15H2/t16-,23-/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309030
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309041
PNG
(CHEMBL601936 | tert-butyl 4-(((3S,6S)-1-(4-chlorop...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C27H34Cl3N3O2/c1-27(2,3)35-26(34)32-14-12-31(13-15-32)17-19-4-11-25(23-10-7-21(29)16-24(23)30)33(18-19)22-8-5-20(28)6-9-22/h5-10,16,19,25H,4,11-15,17-18H2,1-3H3/t19-,25-/m0/s1
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309027
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309036
PNG
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)
Show SMILES CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C28H36Cl3N3O/c1-28(2,3)17-27(35)33-14-12-32(13-15-33)18-20-4-11-26(24-10-7-22(30)16-25(24)31)34(19-20)23-8-5-21(29)6-9-23/h5-10,16,20,26H,4,11-15,17-19H2,1-3H3/t20-,26-/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309054
PNG
(CHEMBL592628 | trans-1-(4-chlorophenyl)-2-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r|
Show InChI InChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309028
PNG
((2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1
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16n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309033
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C24H27Cl3N2O/c25-17-7-10-20(11-8-17)29-15-16(24(30)28-19-4-2-1-3-5-19)6-13-23(29)21-12-9-18(26)14-22(21)27/h7-12,14,16,19,23H,1-6,13,15H2,(H,28,30)/t16-,23+/m1/s1
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309034
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CNC(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H25Cl3N2O/c1-14(2)12-26-22(28)15-3-10-21(19-9-6-17(24)11-20(19)25)27(13-15)18-7-4-16(23)5-8-18/h4-9,11,14-15,21H,3,10,12-13H2,1-2H3,(H,26,28)/t15-,21+/m1/s1
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33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309031
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclobutyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCC1 |r|
Show InChI InChI=1S/C22H23Cl3N2O/c23-15-5-8-18(9-6-15)27-13-14(22(28)26-17-2-1-3-17)4-11-21(27)19-10-7-16(24)12-20(19)25/h5-10,12,14,17,21H,1-4,11,13H2,(H,26,28)/t14-,21+/m1/s1
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33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309029
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1
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35n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309044
PNG
(CHEMBL591066 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES CC(=O)NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/m0/s1
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42n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309038
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CN2CCN(CC2)S(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H30Cl3N3O2S/c26-19-2-5-21(6-3-19)31-17-18(1-10-25(31)23-9-4-20(27)15-24(23)28)16-29-11-13-30(14-12-29)34(32,33)22-7-8-22/h2-6,9,15,18,22,25H,1,7-8,10-14,16-17H2/t18-,25-/m0/s1
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44n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309062
PNG
(CHEMBL591056 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES CCCS(=O)(=O)NC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H25Cl3N2O2S/c1-2-11-29(27,28)25-13-15-3-10-21(19-9-6-17(23)12-20(19)24)26(14-15)18-7-4-16(22)5-8-18/h4-9,12,15,21,25H,2-3,10-11,13-14H2,1H3/t15-,21-/m0/s1
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48n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309042
PNG
(CHEMBL589985 | N-(2-(1-(4-chlorophenyl)-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1CC(CCNS(=O)(=O)C2CC2)CCC1c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2
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57n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309035
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES CC(C)(C)CCN1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C28H38Cl3N3/c1-28(2,3)12-13-32-14-16-33(17-15-32)19-21-4-11-27(25-10-7-23(30)18-26(25)31)34(20-21)24-8-5-22(29)6-9-24/h5-10,18,21,27H,4,11-17,19-20H2,1-3H3/t21-,27-/m0/s1
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57n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309048
PNG
(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H21Cl3N2/c20-14-2-5-16(6-3-14)24-12-13(9-10-23)1-8-19(24)17-7-4-15(21)11-18(17)22/h2-7,11,13,19H,1,8-10,12,23H2/t13-,19-/m0/s1
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61n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309032
PNG
((3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H22Cl4N2O/c26-18-4-1-16(2-5-18)14-30-25(32)17-3-12-24(22-11-8-20(28)13-23(22)29)31(15-17)21-9-6-19(27)7-10-21/h1-2,4-11,13,17,24H,3,12,14-15H2,(H,30,32)/t17-,24+/m1/s1
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63n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309057
PNG
(CHEMBL592472 | trans-1,2-bis(4-chlorophenyl)-5-(3,...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24-/m1/s1
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72n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309055
PNG
(CHEMBL589842 | trans-1-(4-chlorophenyl)-6-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r|
Show InChI InChI=1S/C24H18Cl3F2NO/c25-16-3-6-18(7-4-16)30-23(19-8-5-17(26)13-20(19)27)10-2-15(24(30)31)11-14-1-9-21(28)22(29)12-14/h1,3-9,12-13,15,23H,2,10-11H2/t15-,23-/m1/s1
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109n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309060
PNG
(CHEMBL600885 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H23Cl3N2O/c23-16-4-7-18(8-5-16)27-13-14(12-26-22(28)15-2-3-15)1-10-21(27)19-9-6-17(24)11-20(19)25/h4-9,11,14-15,21H,1-3,10,12-13H2,(H,26,28)/t14-,21-/m0/s1
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112n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309052
PNG
(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)...)
Show SMILES NC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H19Cl3N2/c19-13-2-5-15(6-3-13)23-11-12(10-22)1-8-18(23)16-7-4-14(20)9-17(16)21/h2-7,9,12,18H,1,8,10-11,22H2/t12-,18-/m0/s1
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133n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309051
PNG
(CHEMBL589169 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/m0/s1
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158n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309029
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C23H27Cl3N2O2S/c24-16-6-9-19(10-7-16)28-15-20(31(29,30)27-18-4-2-1-3-5-18)11-13-23(28)21-12-8-17(25)14-22(21)26/h6-10,12,14,18,20,23,27H,1-5,11,13,15H2/t20-,23+/m1/s1
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368n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309033
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclohexyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C24H27Cl3N2O/c25-17-7-10-20(11-8-17)29-15-16(24(30)28-19-4-2-1-3-5-19)6-13-23(29)21-12-9-18(26)14-22(21)27/h7-12,14,16,19,23H,1-6,13,15H2,(H,28,30)/t16-,23+/m1/s1
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368n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309059
PNG
(CHEMBL592470 | trans-1,6-bis(4-chlorophenyl)-3-(3,...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H19Cl2F2NO/c25-18-5-2-16(3-6-18)23-12-4-17(13-15-1-11-21(27)22(28)14-15)24(30)29(23)20-9-7-19(26)8-10-20/h1-3,5-11,14,17,23H,4,12-13H2/t17-,23-/m1/s1
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444n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309037
PNG
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)
Show SMILES CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C24H28Cl3N3O/c1-17(31)29-12-10-28(11-13-29)15-18-2-9-24(22-8-5-20(26)14-23(22)27)30(16-18)21-6-3-19(25)4-7-21/h3-8,14,18,24H,2,9-13,15-16H2,1H3/t18-,24-/m0/s1
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451n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309053
PNG
(CHEMBL600242 | trans-2-(4-chlorophenyl)-1-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H20Cl3F2N/c25-18-5-3-17(4-6-18)23-9-2-16(11-15-1-8-21(28)22(29)12-15)14-30(23)24-10-7-19(26)13-20(24)27/h1,3-8,10,12-13,16,23H,2,9,11,14H2/t16-,23-/m1/s1
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467n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309040
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CN2CCNCC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H26Cl3N3/c23-17-2-5-19(6-3-17)28-15-16(14-27-11-9-26-10-12-27)1-8-22(28)20-7-4-18(24)13-21(20)25/h2-7,13,16,22,26H,1,8-12,14-15H2/t16-,22-/m0/s1
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554n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
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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560n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309059
PNG
(CHEMBL592470 | trans-1,6-bis(4-chlorophenyl)-3-(3,...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H19Cl2F2NO/c25-18-5-2-16(3-6-18)23-12-4-17(13-15-1-11-21(27)22(28)14-15)24(30)29(23)20-9-7-19(26)8-10-20/h1-3,5-11,14,17,23H,4,12-13H2/t17-,23-/m1/s1
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574n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309039
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES CS(=O)(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C23H28Cl3N3O2S/c1-32(30,31)28-12-10-27(11-13-28)15-17-2-9-23(21-8-5-19(25)14-22(21)26)29(16-17)20-6-3-18(24)4-7-20/h3-8,14,17,23H,2,9-13,15-16H2,1H3/t17-,23-/m0/s1
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690n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309058
PNG
(CHEMBL592471 | cis-1,6-bis(4-chlorophenyl)-3-(3,4-...)
Show SMILES Fc1ccc(C[C@@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H19Cl2F2NO/c25-18-5-2-16(3-6-18)23-12-4-17(13-15-1-11-21(27)22(28)14-15)24(30)29(23)20-9-7-19(26)8-10-20/h1-3,5-11,14,17,23H,4,12-13H2/t17-,23+/m0/s1
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714n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309027
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CCNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H27Cl3N2O2S/c1-15(2)11-12-26-30(28,29)19-8-10-22(20-9-5-17(24)13-21(20)25)27(14-19)18-6-3-16(23)4-7-18/h3-7,9,13,15,19,22,26H,8,10-12,14H2,1-2H3/t19-,22+/m1/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309031
PNG
((3R,6S)-1-(4-chlorophenyl)-N-cyclobutyl-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)C(=O)NC1CCC1 |r|
Show InChI InChI=1S/C22H23Cl3N2O/c23-15-5-8-18(9-6-15)27-13-14(22(28)26-17-2-1-3-17)4-11-21(27)19-10-7-16(24)12-20(19)25/h5-10,12,14,17,21H,1-4,11,13H2,(H,26,28)/t14-,21+/m1/s1
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1.38E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309049
PNG
(CHEMBL591542 | N-(((3S,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H22Cl3N3O/c27-20-6-9-22(10-7-20)32-16-18(3-12-25(32)23-11-8-21(28)13-24(23)29)15-31-26(33)19-4-1-17(14-30)2-5-19/h1-2,4-11,13,18,25H,3,12,15-16H2,(H,31,33)/t18-,25-/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309035
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES CC(C)(C)CCN1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C28H38Cl3N3/c1-28(2,3)12-13-32-14-16-33(17-15-32)19-21-4-11-27(25-10-7-23(30)18-26(25)31)34(20-21)24-8-5-22(29)6-9-24/h5-10,18,21,27H,4,11-17,19-20H2,1-3H3/t21-,27-/m0/s1
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>1.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309030
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CNS(=O)(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H25Cl3N2O2S/c1-14(2)12-25-29(27,28)18-8-10-21(19-9-5-16(23)11-20(19)24)26(13-18)17-6-3-15(22)4-7-17/h3-7,9,11,14,18,21,25H,8,10,12-13H2,1-2H3/t18-,21+/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309034
PNG
((3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-...)
Show SMILES CC(C)CNC(=O)[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H25Cl3N2O/c1-14(2)12-26-22(28)15-3-10-21(19-9-6-17(24)11-20(19)25)27(13-15)18-7-4-16(23)5-8-18/h4-9,11,14-15,21H,3,10,12-13H2,1-2H3,(H,26,28)/t15-,21+/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309056
PNG
(CHEMBL589841 | cis-1,2-bis(4-chlorophenyl)-5-(3,4-...)
Show SMILES Fc1ccc(C[C@@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24+/m0/s1
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>1.64E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309055
PNG
(CHEMBL589842 | trans-1-(4-chlorophenyl)-6-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r|
Show InChI InChI=1S/C24H18Cl3F2NO/c25-16-3-6-18(7-4-16)30-23(19-8-5-17(26)13-20(19)27)10-2-15(24(30)31)11-14-1-9-21(28)22(29)12-14/h1,3-9,12-13,15,23H,2,10-11H2/t15-,23-/m1/s1
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>1.68E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309057
PNG
(CHEMBL592472 | trans-1,2-bis(4-chlorophenyl)-5-(3,...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24-/m1/s1
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>1.77E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309058
PNG
(CHEMBL592471 | cis-1,6-bis(4-chlorophenyl)-3-(3,4-...)
Show SMILES Fc1ccc(C[C@@H]2CC[C@@H](N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H19Cl2F2NO/c25-18-5-2-16(3-6-18)23-12-4-17(13-15-1-11-21(27)22(28)14-15)24(30)29(23)20-9-7-19(26)8-10-20/h1-3,5-11,14,17,23H,4,12-13H2/t17-,23+/m0/s1
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>1.78E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309039
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES CS(=O)(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C23H28Cl3N3O2S/c1-32(30,31)28-12-10-27(11-13-28)15-17-2-9-23(21-8-5-19(25)14-22(21)26)29(16-17)20-6-3-18(24)4-7-20/h3-8,14,17,23H,2,9-13,15-16H2,1H3/t17-,23-/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309037
PNG
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)
Show SMILES CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C24H28Cl3N3O/c1-17(31)29-12-10-28(11-13-29)15-18-2-9-24(22-8-5-20(26)14-23(22)27)30(16-18)21-6-3-19(25)4-7-21/h3-8,14,18,24H,2,9-13,15-16H2,1H3/t18-,24-/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309032
PNG
((3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C25H22Cl4N2O/c26-18-4-1-16(2-5-18)14-30-25(32)17-3-12-24(22-11-8-20(28)13-23(22)29)31(15-17)21-9-6-19(27)7-10-21/h1-2,4-11,13,17,24H,3,12,14-15H2,(H,30,32)/t17-,24+/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309053
PNG
(CHEMBL600242 | trans-2-(4-chlorophenyl)-1-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H20Cl3F2N/c25-18-5-3-17(4-6-18)23-9-2-16(11-15-1-8-21(28)22(29)12-15)14-30(23)24-10-7-19(26)13-20(24)27/h1,3-8,10,12-13,16,23H,2,9,11,14H2/t16-,23-/m1/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309041
PNG
(CHEMBL601936 | tert-butyl 4-(((3S,6S)-1-(4-chlorop...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C27H34Cl3N3O2/c1-27(2,3)35-26(34)32-14-12-31(13-15-32)17-19-4-11-25(23-10-7-21(29)16-24(23)30)33(18-19)22-8-5-20(28)6-9-22/h5-10,16,19,25H,4,11-15,17-18H2,1-3H3/t19-,25-/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309028
PNG
((2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1
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1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309054
PNG
(CHEMBL592628 | trans-1-(4-chlorophenyl)-2-(2,4-dic...)
Show SMILES Fc1ccc(C[C@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1F |r|
Show InChI InChI=1S/C24H20Cl3F2N/c25-17-3-6-19(7-4-17)30-14-16(11-15-1-9-22(28)23(29)12-15)2-10-24(30)20-8-5-18(26)13-21(20)27/h1,3-9,12-13,16,24H,2,10-11,14H2/t16-,24-/m1/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309056
PNG
(CHEMBL589841 | cis-1,2-bis(4-chlorophenyl)-5-(3,4-...)
Show SMILES Fc1ccc(C[C@@H]2CC[C@@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F |r|
Show InChI InChI=1S/C24H21Cl2F2N/c25-19-5-3-18(4-6-19)24-12-2-17(13-16-1-11-22(27)23(28)14-16)15-29(24)21-9-7-20(26)8-10-21/h1,3-11,14,17,24H,2,12-13,15H2/t17-,24+/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309052
PNG
(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)...)
Show SMILES NC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H19Cl3N2/c19-13-2-5-15(6-3-13)23-11-12(10-22)1-8-18(23)16-7-4-14(20)9-17(16)21/h2-7,9,12,18H,1,8,10-11,22H2/t12-,18-/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309051
PNG
(CHEMBL589169 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309050
PNG
(CHEMBL591540 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C23H22Cl3N3O2S/c24-17-4-7-19(8-5-17)29-15-16(13-28-32(30,31)20-2-1-11-27-14-20)3-10-23(29)21-9-6-18(25)12-22(21)26/h1-2,4-9,11-12,14,16,23,28H,3,10,13,15H2/t16-,23-/m0/s1
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>1.85E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309040
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CN2CCNCC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H26Cl3N3/c23-17-2-5-19(6-3-17)28-15-16(14-27-11-9-26-10-12-27)1-8-22(28)20-7-4-18(24)13-21(20)25/h2-7,13,16,22,26H,1,8-12,14-15H2/t16-,22-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309048
PNG
(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichloropheny...)
Show SMILES NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H21Cl3N2/c20-14-2-5-16(6-3-14)24-12-13(9-10-23)1-8-19(24)17-7-4-15(21)11-18(17)22/h2-7,11,13,19H,1,8-10,12,23H2/t13-,19-/m0/s1
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>2.22E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309045
PNG
(CHEMBL603529 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2cccnc2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2/t17-,24-/m0/s1
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>2.22E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309047
PNG
(CHEMBL591352 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2/t15-,22-/m0/s1
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>2.22E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309046
PNG
(CHEMBL591994 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H24Cl3N3O2S/c27-20-4-7-22(8-5-20)32-17-19(3-12-26(32)24-11-6-21(28)15-25(24)29)13-14-31-35(33,34)23-9-1-18(16-30)2-10-23/h1-2,4-11,15,19,26,31H,3,12-14,17H2/t19-,26-/m0/s1
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>2.22E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309038
PNG
(1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophen...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CN2CCN(CC2)S(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H30Cl3N3O2S/c26-19-2-5-21(6-3-19)31-17-18(1-10-25(31)23-9-4-20(27)15-24(23)28)16-29-11-13-30(14-12-29)34(32,33)22-7-8-22/h2-6,9,15,18,22,25H,1,7-8,10-14,16-17H2/t18-,25-/m0/s1
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>2.22E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309036
PNG
(1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorop...)
Show SMILES CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 |r|
Show InChI InChI=1S/C28H36Cl3N3O/c1-28(2,3)17-27(35)33-14-12-32(13-15-33)18-20-4-11-26(24-10-7-22(30)16-25(24)31)34(19-20)23-8-5-21(29)6-9-23/h5-10,16,20,26H,4,11-15,17-19H2,1-3H3/t20-,26-/m0/s1
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>2.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309042
PNG
(CHEMBL589985 | N-(2-(1-(4-chlorophenyl)-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1CC(CCNS(=O)(=O)C2CC2)CCC1c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2
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>2.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309042
PNG
(CHEMBL589985 | N-(2-(1-(4-chlorophenyl)-6-(2,4-dic...)
Show SMILES Clc1ccc(cc1)N1CC(CCNS(=O)(=O)C2CC2)CCC1c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-2-5-18(6-3-16)27-14-15(11-12-26-30(28,29)19-7-8-19)1-10-22(27)20-9-4-17(24)13-21(20)25/h2-6,9,13,15,19,22,26H,1,7-8,10-12,14H2
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>2.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309044
PNG
(CHEMBL591066 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES CC(=O)NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C21H23Cl3N2O/c1-14(27)25-11-10-15-2-9-21(19-8-5-17(23)12-20(19)24)26(13-15)18-6-3-16(22)4-7-18/h3-8,12,15,21H,2,9-11,13H2,1H3,(H,25,27)/t15-,21-/m0/s1
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>2.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309043
PNG
(CHEMBL591067 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...)
Show SMILES Clc1ccc(cc1)N1C[C@H](CCNC(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C27H24Cl3N3O/c28-21-6-9-23(10-7-21)33-17-19(3-12-26(33)24-11-8-22(29)15-25(24)30)13-14-32-27(34)20-4-1-18(16-31)2-5-20/h1-2,4-11,15,19,26H,3,12-14,17H2,(H,32,34)/t19-,26-/m0/s1
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>2.45E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1278-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.075
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%