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PubMed code 17270441

Compile data set for download or QSAR
Found 72 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))
BDBM50204183
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)
Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H
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n/an/a 0.910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160100
PNG
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204178
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-14(2)33-26(35)21-13-20(15-3-5-16(28)6-4-15)25(19-9-7-17(29)11-22(19)30)34-27(21)36-18-8-10-23(31)24(32)12-18/h3-14H,1-2H3,(H,33,35)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204174
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204180
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-(3,5-di...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H20Cl2F2N4O2S/c29-20-7-5-18(6-8-20)25-13-19(17-33)28(34-27(25)24-3-1-2-4-26(24)30)35-9-11-36(12-10-35)39(37,38)23-15-21(31)14-22(32)16-23/h1-8,13-16H,9-12H2
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n/an/a 3.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204179
PNG
(5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H
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n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204185
PNG
(2-(3-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H12Cl4N2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-17(26)11-19)30-23(21)20-9-8-18(27)12-22(20)28/h1-12H
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204194
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-34(2)33-25(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)32-26(20)36-17-8-10-22(30)23(31)12-17/h3-13H,1-2H3,(H,33,35)
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n/an/a 5.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204187
PNG
(2-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1nnc2ccccc12
Show InChI InChI=1S/C24H12Cl3N5/c25-16-7-5-14(6-8-16)19-11-15(13-28)24(32-22-4-2-1-3-21(22)30-31-32)29-23(19)18-10-9-17(26)12-20(18)27/h1-12H
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204176
PNG
(CHEMBL247910 | N-(2-(5-(4-chlorophenyl)-3-cyano-6-...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCCNC(=O)C2CCC2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32)
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204173
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,3-dimet...)
Show SMILES CC(C)(C)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2/c1-24(2,3)13-12-22-17(15-27)14-20(16-8-10-18(25)11-9-16)23(28-22)19-6-4-5-7-21(19)26/h4-11,14H,1-3H3
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204197
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-((tetr...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:15.15|
Show InChI InChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2
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n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204195
PNG
(2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)
Show SMILES Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160138
PNG
(2-(3,4-difluorobenzyloxy)-6-(2-chlorophenyl)-5-(4-...)
Show SMILES Fc1ccc(COc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H14Cl2F2N2O/c26-18-8-6-16(7-9-18)20-12-17(13-30)25(31-24(20)19-3-1-2-4-21(19)27)32-14-15-5-10-22(28)23(29)11-15/h1-12H,14H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204175
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopro...)
Show SMILES CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204172
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H13Cl3F2N2O2/c25-13-3-1-12(2-4-13)17-11-18(23(30)32)24(33-15-6-8-20(28)21(29)10-15)31-22(17)16-7-5-14(26)9-19(16)27/h1-11H,(H2,30,32)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204170
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(tetra...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:14.14|
Show InChI InChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204184
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-flu...)
Show SMILES Fc1cccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-18(28)12-19)30-23(21)20-9-8-17(26)11-22(20)27/h1-12H
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204171
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isoprop...)
Show SMILES CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N4O2/c1-15(2)30-11-12-31(25(33)24(30)32)23-17(14-28)13-20(16-7-9-18(26)10-8-16)22(29-23)19-5-3-4-6-21(19)27/h3-10,13,15H,11-12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204169
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(1H-im...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1ccnc1
Show InChI InChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204188
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204181
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(piper...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)N1CCCCC1
Show InChI InChI=1S/C23H18Cl3N3/c24-17-6-4-15(5-7-17)20-12-16(14-27)23(29-10-2-1-3-11-29)28-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-13H,1-3,10-11H2
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204200
PNG
(CHEMBL428579 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H12Cl3F2N3O/c26-16-4-1-13(2-5-16)19-9-15(12-31)24(32-23(19)18-7-6-17(27)11-20(18)28)33-25(34)14-3-8-21(29)22(30)10-14/h1-11H,(H,32,33,34)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204202
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-diflu...)
Show SMILES Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H12Cl2F2N2O/c25-16-7-5-14(6-8-16)19-11-15(13-29)24(31-17-9-10-21(27)22(28)12-17)30-23(19)18-3-1-2-4-20(18)26/h1-12H
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204199
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-met...)
Show SMILES COc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204186
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyridin-3...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cccnc1
Show InChI InChI=1S/C23H13Cl2N3/c24-18-9-7-15(8-10-18)20-12-17(13-26)22(16-4-3-11-27-14-16)28-23(20)19-5-1-2-6-21(19)25/h1-12,14H
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204189
PNG
(CHEMBL247706 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22(30)29-21-14(12-27)10-18(13-4-6-15(24)7-5-13)20(28-21)17-9-8-16(25)11-19(17)26/h4-11H,1-3H3,(H,28,29,30)
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204193
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-pivaloy...)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2,3)26(34)33-14-12-32(13-15-33)25-19(17-30)16-22(18-8-10-20(28)11-9-18)24(31-25)21-6-4-5-7-23(21)29/h4-11,16H,12-15H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204203
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyrimidin...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1
Show InChI InChI=1S/C22H12Cl2N4/c23-17-7-5-14(6-8-17)19-9-15(10-25)21(16-11-26-13-27-12-16)28-22(19)18-3-1-2-4-20(18)24/h1-9,11-13H
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204177
PNG
(2-(3-amino-3-ethylpent-1-ynyl)-6-(2-chlorophenyl)-...)
Show SMILES CCC(N)(CC)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21Cl2N3/c1-3-25(29,4-2)14-13-23-18(16-28)15-21(17-9-11-19(26)12-10-17)24(30-23)20-7-5-6-8-22(20)27/h5-12,15H,3-4,29H2,1-2H3
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204191
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3-hydroxy...)
Show SMILES CC(C)(O)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O/c1-23(2,28)12-11-21-16(14-26)13-19(15-7-9-17(24)10-8-15)22(27-21)18-5-3-4-6-20(18)25/h3-10,13,28H,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204192
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H13Cl3FN3/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(30-19-8-6-18(28)7-9-19)31-23(21)20-10-5-17(26)12-22(20)27/h1-12H,(H,30,31)
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204182
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CNN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-32-34(2)26(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)33-25(20)36-17-8-10-22(30)23(31)12-17/h3-13,32H,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204190
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(isobu...)
Show SMILES CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl3N3/c1-13(2)12-27-22-15(11-26)9-19(14-3-5-16(23)6-4-14)21(28-22)18-8-7-17(24)10-20(18)25/h3-10,13H,12H2,1-2H3,(H,27,28)
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n/an/a 89n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204196
PNG
(2-(4-tert-butylpiperazin-1-yl)-6-(2-chlorophenyl)-...)
Show SMILES CC(C)(C)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26Cl2N4/c1-26(2,3)32-14-12-31(13-15-32)25-19(17-29)16-22(18-8-10-20(27)11-9-18)24(30-25)21-6-4-5-7-23(21)28/h4-11,16H,12-15H2,1-3H3
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n/an/a 108n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204198
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
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n/an/a 154n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204201
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(1-methyl-...)
Show SMILES Cn1cc(cn1)-c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N4/c1-28-13-16(12-26-28)21-15(11-25)10-19(14-6-8-17(23)9-7-14)22(27-21)18-4-2-3-5-20(18)24/h2-10,12-13H,1H3
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n/an/a 165n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204169
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(1H-im...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1ccnc1
Show InChI InChI=1S/C21H11Cl3N4/c22-15-3-1-13(2-4-15)18-9-14(11-25)21(28-8-7-26-12-28)27-20(18)17-6-5-16(23)10-19(17)24/h1-10,12H
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204200
PNG
(CHEMBL428579 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H12Cl3F2N3O/c26-16-4-1-13(2-5-16)19-9-15(12-31)24(32-23(19)18-7-6-17(27)11-20(18)28)33-25(34)14-3-8-21(29)22(30)10-14/h1-11H,(H,32,33,34)
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n/an/a 315n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204183
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)
Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H
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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204197
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-((tetr...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:15.15|
Show InChI InChI=1S/C23H17Cl3N2O2/c24-17-3-1-15(2-4-17)20-9-16(11-27)23(30-13-14-7-8-29-12-14)28-22(20)19-6-5-18(25)10-21(19)26/h1-6,9-10,14H,7-8,12-13H2
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204176
PNG
(CHEMBL247910 | N-(2-(5-(4-chlorophenyl)-3-cyano-6-...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCCNC(=O)C2CCC2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H20Cl3N3O2/c26-18-6-4-15(5-7-18)21-12-17(14-29)25(33-11-10-30-24(32)16-2-1-3-16)31-23(21)20-9-8-19(27)13-22(20)28/h4-9,12-13,16H,1-3,10-11H2,(H,30,32)
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204187
PNG
(2-(1H-benzo[d][1,2,3]triazol-1-yl)-5-(4-chlorophen...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)-n1nnc2ccccc12
Show InChI InChI=1S/C24H12Cl3N5/c25-16-7-5-14(6-8-16)19-11-15(13-28)24(32-22-4-2-1-3-21(22)30-31-32)29-23(19)18-10-9-17(26)12-20(18)27/h1-12H
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n/an/a 465n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204182
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CNN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-32-34(2)26(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)33-25(20)36-17-8-10-22(30)23(31)12-17/h3-13,32H,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204171
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-isoprop...)
Show SMILES CC(C)N1CCN(C(=O)C1=O)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl2N4O2/c1-15(2)30-11-12-31(25(33)24(30)32)23-17(14-28)13-20(16-7-9-18(26)10-8-16)22(29-23)19-5-3-4-6-21(19)27/h3-10,13,15H,11-12H2,1-2H3
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n/an/a 715n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204170
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(tetra...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OC2CCOC2)nc1-c1ccc(Cl)cc1Cl |w:14.14|
Show InChI InChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2
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n/an/a 730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204175
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopro...)
Show SMILES CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3
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n/an/a 860n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204177
PNG
(2-(3-amino-3-ethylpent-1-ynyl)-6-(2-chlorophenyl)-...)
Show SMILES CCC(N)(CC)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21Cl2N3/c1-3-25(29,4-2)14-13-23-18(16-28)15-21(17-9-11-19(26)12-10-17)24(30-23)20-7-5-6-8-22(20)27/h5-12,15H,3-4,29H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204193
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-pivaloy...)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N4O/c1-27(2,3)26(34)33-14-12-32(13-15-33)25-19(17-30)16-22(18-8-10-20(28)11-9-18)24(31-25)21-6-4-5-7-23(21)29/h4-11,16H,12-15H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204180
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-(3,5-di...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H20Cl2F2N4O2S/c29-20-7-5-18(6-8-20)25-13-19(17-33)28(34-27(25)24-3-1-2-4-26(24)30)35-9-11-36(12-10-35)39(37,38)23-15-21(31)14-22(32)16-23/h1-8,13-16H,9-12H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204178
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-14(2)33-26(35)21-13-20(15-3-5-16(28)6-4-15)25(19-9-7-17(29)11-22(19)30)34-27(21)36-18-8-10-23(31)24(32)12-18/h3-14H,1-2H3,(H,33,35)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204189
PNG
(CHEMBL247706 | N-(5-(4-chlorophenyl)-3-cyano-6-(2,...)
Show SMILES CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22(30)29-21-14(12-27)10-18(13-4-6-15(24)7-5-13)20(28-21)17-9-8-16(25)11-19(17)26/h4-11H,1-3H3,(H,28,29,30)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204191
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3-hydroxy...)
Show SMILES CC(C)(O)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O/c1-23(2,28)12-11-21-16(14-26)13-19(15-7-9-17(24)10-8-15)22(27-21)18-5-3-4-6-20(18)25/h3-10,13,28H,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204194
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3F2N3O2/c1-34(2)33-25(35)20-13-19(14-3-5-15(27)6-4-14)24(18-9-7-16(28)11-21(18)29)32-26(20)36-17-8-10-22(30)23(31)12-17/h3-13H,1-2H3,(H,33,35)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204190
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(isobu...)
Show SMILES CC(C)CNc1nc(-c2ccc(Cl)cc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl3N3/c1-13(2)12-27-22-15(11-26)9-19(14-3-5-16(23)6-4-14)21(28-22)18-8-7-17(24)10-20(18)25/h3-10,13H,12H2,1-2H3,(H,27,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204173
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,3-dimet...)
Show SMILES CC(C)(C)C#Cc1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2/c1-24(2,3)13-12-22-17(15-27)14-20(16-8-10-18(25)11-9-16)23(28-22)19-6-4-5-7-21(19)26/h4-11,14H,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204184
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3-flu...)
Show SMILES Fc1cccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-18(28)12-19)30-23(21)20-9-8-17(26)11-22(20)27/h1-12H
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204196
PNG
(2-(4-tert-butylpiperazin-1-yl)-6-(2-chlorophenyl)-...)
Show SMILES CC(C)(C)N1CCN(CC1)c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26Cl2N4/c1-26(2,3)32-14-12-31(13-15-32)25-19(17-29)16-22(18-8-10-20(27)11-9-18)24(30-25)21-6-4-5-7-23(21)28/h4-11,16H,12-15H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204192
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H13Cl3FN3/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(30-19-8-6-18(28)7-9-19)31-23(21)20-10-5-17(26)12-22(20)27/h1-12H,(H,30,31)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204201
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(1-methyl-...)
Show SMILES Cn1cc(cn1)-c1nc(-c2ccccc2Cl)c(cc1C#N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl2N4/c1-28-13-16(12-26-28)21-15(11-25)10-19(14-6-8-17(23)9-7-14)22(27-21)18-4-2-3-5-20(18)24/h2-10,12-13H,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204186
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyridin-3...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cccnc1
Show InChI InChI=1S/C23H13Cl2N3/c24-18-9-7-15(8-10-18)20-12-17(13-26)22(16-4-3-11-27-14-16)28-23(20)19-5-1-2-6-21(19)25/h1-12,14H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204199
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-met...)
Show SMILES COc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H15Cl3N2O2/c1-31-19-7-9-20(10-8-19)32-25-16(14-29)12-22(15-2-4-17(26)5-3-15)24(30-25)21-11-6-18(27)13-23(21)28/h2-13H,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204181
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(piper...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccc(Cl)cc1Cl)N1CCCCC1
Show InChI InChI=1S/C23H18Cl3N3/c24-17-6-4-15(5-7-17)20-12-16(14-27)23(29-10-2-1-3-11-29)28-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-13H,1-3,10-11H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204185
PNG
(2-(3-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H12Cl4N2O/c25-16-6-4-14(5-7-16)21-10-15(13-29)24(31-19-3-1-2-17(26)11-19)30-23(21)20-9-8-18(27)12-22(20)28/h1-12H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204174
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204195
PNG
(2-(4-chlorophenoxy)-5-(4-chlorophenyl)-6-(2,4-dich...)
Show SMILES Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl4N2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-5-17(26)6-9-19)30-23(21)20-10-7-18(27)12-22(20)28/h1-12H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204203
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(pyrimidin...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(nc1-c1ccccc1Cl)-c1cncnc1
Show InChI InChI=1S/C22H12Cl2N4/c23-17-7-5-14(6-8-17)19-9-15(10-25)21(16-11-26-13-27-12-16)28-22(19)18-3-1-2-4-20(18)24/h1-9,11-13H
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204188
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl3FN2O/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204172
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Oc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H13Cl3F2N2O2/c25-13-3-1-12(2-4-13)17-11-18(23(30)32)24(33-15-6-8-20(28)21(29)10-15)31-22(17)16-7-5-14(26)9-19(16)27/h1-11H,(H2,30,32)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204198
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(4-flu...)
Show SMILES Fc1ccc(Sc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H12Cl3FN2S/c25-16-3-1-14(2-4-16)21-11-15(13-29)24(31-19-8-6-18(28)7-9-19)30-23(21)20-10-5-17(26)12-22(20)27/h1-12H
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204179
PNG
(5-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)-6-(2,4-...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(Oc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H11Cl5N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-9-17(27)8-18(28)10-19)31-23(21)20-6-5-16(26)11-22(20)29/h1-11H
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n/an/a 5.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204202
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-diflu...)
Show SMILES Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H12Cl2F2N2O/c25-16-7-5-14(6-8-16)19-11-15(13-29)24(31-17-9-10-21(27)22(28)12-17)30-23(19)18-3-1-2-4-20(18)26/h1-12H
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n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%